data_2dk8_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 2dk8 _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 ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' CB ' HG12 ' A' ' 73' ' ' ILE . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' HD22 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' OD2' ' NH2' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ILE . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 61' ' ' ASP . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 54' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.454 ' CB ' HG12 ' A' ' 73' ' ' ILE . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' TYR . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 4.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 63' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.454 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' CB ' HG12 ' A' ' 73' ' ' ILE . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CE1' HD22 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' TYR . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ASN . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' CB ' HG12 ' A' ' 73' ' ' ILE . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TYR . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CD1' HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' HB2' ' A' ' 74' ' ' LYS . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.472 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' HD21 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 69' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.489 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 62' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 73' ' ' ILE . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CD1' HD22 ' A' ' 62' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 50' ' ' ALA . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' CB ' HG12 ' A' ' 73' ' ' ILE . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.432 ' CD1' HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' HB2' ' A' ' 74' ' ' LYS . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' ' HD3' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 63' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' CB ' HG12 ' A' ' 73' ' ' ILE . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HD22 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 30' ' ' ILE . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 63' ' ' LEU . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CD1' HD22 ' A' ' 62' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.499 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 6.2 m-80 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 73' ' ' ILE . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 HG21 ' CD ' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CD ' HG21 ' A' ' 35' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 20' ' ' ILE . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' CB ' HG12 ' A' ' 73' ' ' ILE . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CG ' HG23 ' A' ' 30' ' ' ILE . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG23 ' CG ' ' A' ' 26' ' ' PHE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 16' ' ' GLU . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 50' ' ' ALA . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.507 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' CB ' HG12 ' A' ' 73' ' ' ILE . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.449 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 39' ' ' MET . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.4 m-80 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 30' ' ' ILE . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.434 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.9 m-80 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CG ' HG23 ' A' ' 30' ' ' ILE . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 20' ' ' ILE . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' NH1' HD13 ' A' ' 63' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' PRO . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.6 m-20 -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 54' ' ' LEU . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.471 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' TYR . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 50' ' ' ALA . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 49' ' ' VAL . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 20' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG2' ' CD1' ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.463 ' CB ' HG12 ' A' ' 73' ' ' ILE . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' TYR . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.483 ' CE1' HD21 ' A' ' 62' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.468 ' CB ' HG12 ' A' ' 73' ' ' ILE . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 30' ' ' ILE . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 26' ' ' PHE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' MET . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' CD ' ' A' ' 53' ' ' ARG . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' CB ' ' A' ' 50' ' ' ALA . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.442 ' CG2' ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CE1' HD21 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CD1' HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CD ' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ILE . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' HD13 ' A' ' 54' ' ' LEU . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' CB ' HG12 ' A' ' 73' ' ' ILE . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' TYR . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG1' HD12 ' A' ' 30' ' ' ILE . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' ' CG2' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 50' ' ' ALA . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 50' ' ' ALA . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' CB ' HG12 ' A' ' 73' ' ' ILE . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 20' ' ' ILE . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 3.4 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' PRO . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.474 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.462 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.421 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' CG1' ' HB3' ' A' ' 39' ' ' MET . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' CD ' ' A' ' 53' ' ' ARG . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 63' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -44.08 135.15 4.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 0.801 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.12 106.19 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.69 170.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 145.09 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -59.97 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.47 176.31 14.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 71.12 5.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.21 101.26 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.6 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.89 158.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -61.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG23 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' CB ' HG12 ' A' ' 73' ' ' ILE . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' HD22 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' OD2' ' NH2' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.02 126.74 15.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.05 -163.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 p -56.7 127.74 32.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.71 175.01 37.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -105.69 165.1 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ILE . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 61' ' ' ASP . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.02 142.27 58.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.55 169.19 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -135.3 135.01 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.03 153.71 41.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.65 42.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -72.46 160.53 32.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -82.92 -34.9 26.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.96 87.65 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -59.48 105.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.9 -85.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -175.1 98.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.66 -58.0 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 167.99 15.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.69 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.99 106.66 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -50.1 116.64 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.51 150.33 0.28 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -61.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 54' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.454 ' CB ' HG12 ' A' ' 73' ' ' ILE . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' TYR . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p -116.28 177.64 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -52.29 120.97 6.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m 63.46 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.5 -173.67 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 4.3 mt -114.56 165.38 12.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 63' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.454 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -62.6 137.66 58.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.99 169.69 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.11 92.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.058 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.16 154.47 24.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -58.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 133.98 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -84.16 132.36 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -133.36 146.96 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.4 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 83.1 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -114.5 177.31 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -65.01 157.38 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -76.46 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 69.66 5.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.43 1.753 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.92 93.53 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.31 100.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.93 156.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' CB ' HG12 ' A' ' 73' ' ' ILE . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CE1' HD22 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' TYR . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -106.83 -80.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -164.22 161.58 22.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m 43.73 46.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.6 -158.6 15.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -122.48 165.23 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.28 144.58 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.86 107.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 164.36 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.68 155.19 10.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.83 35.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 143.09 45.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 90.41 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -154.24 155.78 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -141.71 142.86 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.5 -176.1 17.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -173.16 135.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t 58.09 103.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.19 157.28 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.41 5.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -152.13 98.55 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.92 104.21 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.56 156.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' ASN . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' CB ' HG12 ' A' ' 73' ' ' ILE . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TYR . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CD1' HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' HB2' ' A' ' 74' ' ' LYS . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -126.52 169.09 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -43.31 131.76 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m 63.48 112.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.26 -170.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.57 165.83 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.92 101.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.94 123.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 p -70.53 -24.16 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.58 155.17 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.22 15.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.26 89.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.85 104.66 12.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.09 -58.28 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -138.44 112.83 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.39 134.35 6.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 170.53 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 120.04 40.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.69 159.4 7.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 59.79 89.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 67.7 96.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.03 160.08 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -61.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.472 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' HD21 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -173.38 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.13 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 68' ' ' GLY . 9.0 t -83.92 -145.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' N ' ' OG1' ' A' ' 67' ' ' THR . . . -42.32 165.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 69' ' ' LEU . 2.0 mt -72.56 164.69 26.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.489 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 62' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -63.3 147.56 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -173.07 144.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 p -170.81 -52.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.96 155.0 26.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 132.45 15.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 92.65 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 p -142.0 99.88 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.21 170.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.46 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.37 172.39 25.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 p -178.45 166.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.72 109.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 -145.61 13.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.54 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 62.15 85.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.1 116.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.22 156.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 73' ' ' ILE . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 66' ' ' ASN . 5.2 t -143.85 126.66 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 65' ' ' SER . 7.3 t-20 79.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 p -65.2 -52.15 56.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.75 -179.15 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.15 164.46 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CD1' HD22 ' A' ' 62' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -63.23 122.55 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -155.86 108.52 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.6 m -123.85 165.84 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.19 155.21 28.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.72 30.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.33 114.32 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.77 145.29 36.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 61.17 159.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.12 -127.58 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -115.17 176.81 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p 179.35 -76.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 80.76 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.9 110.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.89 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.97 161.76 0.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -61.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CB ' ' A' ' 50' ' ' ALA . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' CB ' HG12 ' A' ' 73' ' ' ILE . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.432 ' CD1' HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' HB2' ' A' ' 74' ' ' LYS . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' ' HD3' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.29 -169.77 2.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 67' ' ' THR . 1.7 m-20 -48.59 124.72 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 2.6 m 80.66 -140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.77 -179.0 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -88.49 164.86 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 63' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? -64.03 116.46 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 4.9 m-20 61.67 117.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -115.58 -81.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.65 154.74 12.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 103.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.74 153.67 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -151.09 101.56 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -57.35 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 115.58 3.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -54.38 -43.72 71.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.13 -88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 127.99 178.96 15.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 78.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.23 -148.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 108.71 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.01 162.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' CB ' HG12 ' A' ' 73' ' ' ILE . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HD22 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 30' ' ' ILE . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 -179.71 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -52.18 139.92 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 m 63.38 96.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.56 -166.3 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.8 165.25 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 63' ' ' LEU . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CD1' HD22 ' A' ' 62' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -65.26 153.48 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.19 -57.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.3 p -111.63 91.36 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.25 155.2 23.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 147.39 33.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -129.2 -60.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 t -122.34 167.96 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 65.24 109.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -93.82 -59.33 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 109.81 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -80.38 123.88 28.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 160.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.88 -85.33 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.15 113.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 69.6 106.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.07 160.18 0.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -60.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 6.2 m-80 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 73' ' ' ILE . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 HG21 ' CD ' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CD ' HG21 ' A' ' 35' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 20' ' ' ILE . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t -107.63 175.0 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -44.97 -53.47 7.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.0 t -94.89 116.42 28.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.23 -153.47 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.01 165.09 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' ILE . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 127.2 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.87 134.97 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.58 104.85 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.24 -87.38 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 74.1 4.11 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.54 167.15 12.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 p -132.41 153.86 50.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.72 161.38 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -138.25 148.18 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.33 152.71 29.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.15 95.16 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -101.82 169.18 8.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 73.1 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -34.16 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -162.14 114.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 69.94 106.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.42 159.2 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' CB ' HG12 ' A' ' 73' ' ' ILE . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CG ' HG23 ' A' ' 30' ' ' ILE . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG23 ' CG ' ' A' ' 26' ' ' PHE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 16' ' ' GLU . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -143.69 142.23 30.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.3 t-20 43.83 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 m -63.76 112.58 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 155.39 31.52 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.34 164.45 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -63.31 141.36 58.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -158.08 -57.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -69.97 87.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 154.91 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.9 t -68.19 94.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -59.51 -60.57 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.941 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -107.72 165.27 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.12 101.84 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.93 117.38 6.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -147.41 134.62 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 96.35 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -85.52 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.18 6.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.28 105.02 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . 56.75 103.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -41.49 161.38 0.14 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 50' ' ' ALA . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.507 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' CB ' HG12 ' A' ' 73' ' ' ILE . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.449 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 39' ' ' MET . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -131.86 177.14 7.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.7 m120 -49.61 162.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m 67.36 -72.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -149.8 -173.42 20.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -80.43 164.65 22.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.94 122.95 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -172.31 103.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.3 p -106.25 89.1 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.47 155.17 24.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.8 6.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 103.14 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 p -138.83 -58.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -106.34 142.28 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -152.31 137.49 17.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.58 87.21 0.98 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -100.45 77.97 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -178.19 125.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.99 -155.24 30.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -74.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -166.6 87.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.88 97.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.29 155.9 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.4 m-80 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 50' ' ' ALA . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 30' ' ' ILE . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.434 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -125.39 -80.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.72 163.87 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 67' ' ' THR . 3.4 m 43.9 29.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.34 -175.88 19.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.96 165.42 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -64.0 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -176.61 142.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.31 82.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.03 155.37 16.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.82 34.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -121.37 118.07 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.2 m -81.48 84.1 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.18 164.11 13.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -161.84 121.68 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -123.18 7.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.06 153.93 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -146.93 -56.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 97.01 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 69.95 5.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.39 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 73.95 110.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.31 158.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.9 m-80 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CG ' HG23 ' A' ' 30' ' ' ILE . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 20' ' ' ILE . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -115.62 -70.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 178.74 166.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 t 39.32 42.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.63 148.45 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -74.82 165.3 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' NH1' HD13 ' A' ' 63' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt -63.88 147.14 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 56.52 103.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.94 101.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.47 155.15 29.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 m -139.9 108.65 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.0 p -175.68 160.72 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -125.6 93.29 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -41.55 132.76 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.57 148.75 3.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.41 78.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -139.17 99.51 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.74 68.81 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.96 5.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.1 114.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -121.41 8.0 10.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.6 OUTLIER 59.46 152.61 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -65.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' PRO . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.6 m-20 -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 54' ' ' LEU . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' TYR . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 50' ' ' ALA . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 49' ' ' VAL . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 20' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t -110.62 -84.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -166.73 157.41 12.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.3 p 45.9 38.01 4.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.51 158.84 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -86.87 165.05 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ILE . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.85 137.39 56.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -156.5 169.47 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -118.01 119.47 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.45 155.39 48.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -112.25 103.44 11.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 t -48.38 139.95 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -160.36 105.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -73.96 146.86 43.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.91 128.08 11.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.55 170.2 16.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.03 115.92 28.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.39 -85.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.64 5.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.83 110.23 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.56 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.39 156.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG2' ' CD1' ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.463 ' CB ' HG12 ' A' ' 73' ' ' ILE . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' TYR . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.38 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -48.14 141.58 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m 63.5 94.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.54 -170.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.97 165.96 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.483 ' CE1' HD21 ' A' ' 62' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.11 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.99 166.69 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -129.83 -62.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.18 155.34 1.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 76.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.6 m -112.98 140.79 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 m -101.08 103.7 14.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -74.15 129.71 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -101.3 -60.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 -176.99 7.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 145.6 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -170.5 165.26 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -81.1 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 18.2 Cg_endo -74.99 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -170.78 54.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.49 2.29 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 3.9 t0 60.7 148.01 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' CG1' ' OD2' ' A' ' 11' ' ' ASP . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' CB ' HG12 ' A' ' 73' ' ' ILE . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 30' ' ' ILE . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.423 HG23 ' CD2' ' A' ' 26' ' ' PHE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' MET . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 8' ' ' PRO . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' CD ' ' A' ' 53' ' ' ARG . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p -113.16 57.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' GLY . 73.8 m-20 59.0 157.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m 48.93 -94.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -92.62 164.19 27.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 1.8 mt -94.82 165.23 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -65.35 120.22 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' O ' ' NH2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -173.26 123.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.57 121.32 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.56 155.18 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.82 21.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -86.75 157.58 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.04 110.5 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -172.71 162.05 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -133.72 -57.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.12 63.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -100.1 145.01 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -50.69 117.88 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.6 -85.25 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 62.17 5.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -145.88 109.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.54 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.43 150.16 0.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -60.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' CB ' ' A' ' 50' ' ' ALA . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.442 ' CG2' ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' HG12 ' A' ' 73' ' ' ILE . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CE1' HD21 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CD1' HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CD ' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -94.22 169.5 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.15 -67.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 m -55.4 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.24 -139.16 6.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.16 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ILE . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.44 126.52 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -161.38 134.28 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 165.61 21.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.86 -87.54 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -97.31 137.14 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.99 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 60.78 118.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -54.47 97.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 96.76 2.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -174.92 164.37 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -48.92 107.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -142.34 8.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.14 4.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -177.62 124.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -91.29 18.1 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 13' ' ' VAL . 3.6 t0 60.77 148.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 11' ' ' ASP . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' HD13 ' A' ' 54' ' ' LEU . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' CB ' HG12 ' A' ' 73' ' ' ILE . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' TYR . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG1' HD12 ' A' ' 30' ' ' ILE . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.407 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' ' CG2' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -115.34 169.01 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.48 117.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m 62.64 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.08 177.71 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt -109.18 165.31 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.764 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ILE . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.85 138.9 58.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -44.95 -58.31 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -93.46 96.92 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.99 -87.38 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.65 41.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -59.68 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 147.96 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.53 85.7 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -159.45 -57.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.65 -158.93 27.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.86 99.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 58.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.75 -147.34 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.48 117.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.3 105.25 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 161.47 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -60.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 50' ' ' ALA . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 50' ' ' ALA . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' CB ' HG12 ' A' ' 73' ' ' ILE . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 15' ' ' ILE . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 20' ' ' ILE . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.53 134.99 24.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.31 -154.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -55.02 -90.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.75 -178.77 8.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 3.4 mt -98.53 165.14 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 73' ' ' ILE . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -64.2 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.15 -51.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.03 97.51 8.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.67 155.27 12.54 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -172.42 113.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 p -132.06 128.21 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -113.51 143.37 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -43.49 119.97 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.51 165.31 34.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -160.09 120.29 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -135.96 79.53 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.03 74.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.6 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.29 111.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -130.85 105.98 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -39.53 150.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' PRO . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.474 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD21 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' CB ' HG12 ' A' ' 73' ' ' ILE . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CE1' HD21 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.421 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' CG1' ' HB3' ' A' ' 39' ' ' MET . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' CD ' ' A' ' 53' ' ' ARG . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CD ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.64 141.67 21.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 50.28 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -54.74 113.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.44 -176.25 41.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.73 165.33 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 63' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.61 145.11 45.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 72' ' ' ARG . 46.9 m-20 -49.73 137.51 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 t -97.44 -59.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.9 154.82 21.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.52 137.08 41.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.28 155.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 13' ' ' VAL . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.828 ' SG ' HD13 ' A' ' 60' ' ' LEU . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.551 ' OG1' HG23 ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 20' ' ' ILE . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 62' ' ' LEU . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.828 HD13 ' SG ' ' A' ' 23' ' ' CYS . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.805 ' HB3' HD11 ' A' ' 60' ' ' LEU . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.657 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 13' ' ' VAL . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 60' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.812 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 20' ' ' ILE . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CB ' HD21 ' A' ' 62' ' ' LEU . 4.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.696 ' HB3' HD11 ' A' ' 60' ' ' LEU . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.707 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.95 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 16' ' ' GLU . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 60' ' ' LEU . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.725 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.719 HG22 ' HD3' ' A' ' 47' ' ' ARG . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HD3' HG22 ' A' ' 35' ' ' ILE . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 47' ' ' ARG . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.95 HD21 ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.761 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.782 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.756 ' N ' HD23 ' A' ' 70' ' ' LEU . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.992 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 54' ' ' LEU . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 60' ' ' LEU . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' O ' HD11 ' A' ' 70' ' ' LEU . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 35' ' ' ILE . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 30' ' ' ILE . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.567 HD12 HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 47' ' ' ARG . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' TYR . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CB ' ' A' ' 69' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.638 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.712 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.814 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.815 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.007 HD11 HD22 ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.78 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG23 ' OG1' ' A' ' 31' ' ' THR . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 HG12 ' A' ' 15' ' ' ILE . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 53' ' ' ARG . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' NH1' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.007 HD22 HD11 ' A' ' 20' ' ' ILE . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 69' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.793 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 60' ' ' LEU . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.745 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 16' ' ' GLU . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.714 HD11 HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.808 ' SG ' HD13 ' A' ' 60' ' ' LEU . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 22' ' ' LEU . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.744 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 22' ' ' LEU . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD21 ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.692 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.744 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.825 ' HB3' HD11 ' A' ' 60' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 HG12 HD12 ' A' ' 42' ' ' ILE . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.964 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' GLU . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.762 ' SG ' HD13 ' A' ' 60' ' ' LEU . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE1' HD23 ' A' ' 22' ' ' LEU . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG3' HD21 ' A' ' 22' ' ' LEU . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD12 HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.964 HD21 ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 72' ' ' ARG . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.768 ' N ' HD23 ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.784 ' O ' HD12 ' A' ' 60' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 14' ' ' GLU . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.017 HD11 HD22 ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' A' ' 60' ' ' LEU . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG23 ' CE ' ' A' ' 39' ' ' MET . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.692 ' CE ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 42' ' ' ILE . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HD3' HG22 ' A' ' 35' ' ' ILE . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 20' ' ' ILE . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 62' ' ' LEU . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' A' ' 71' ' ' TYR . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.598 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.772 ' HB3' HD11 ' A' ' 60' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.573 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.523 HG22 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.6 m120 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG21 HD22 ' A' ' 60' ' ' LEU . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 22' ' ' LEU . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.514 HG22 ' HD3' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' O ' HD12 ' A' ' 51' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 47' ' ' ARG . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 16' ' ' GLU . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.665 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.705 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.838 ' SG ' HD13 ' A' ' 60' ' ' LEU . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 HD11 ' A' ' 35' ' ' ILE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 34' ' ' VAL . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' OG1' ' A' ' 31' ' ' THR . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 30' ' ' ILE . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 22' ' ' LEU . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.838 HD13 ' SG ' ' A' ' 23' ' ' CYS . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HE ' HD13 ' A' ' 69' ' ' LEU . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.789 ' HB3' HD11 ' A' ' 60' ' ' LEU . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.68 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG12 HD12 ' A' ' 42' ' ' ILE . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 60' ' ' LEU . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.735 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.447 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.883 HD13 HD11 ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.78 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.689 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.555 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.779 ' HB3' HD11 ' A' ' 60' ' ' LEU . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.622 HG22 ' CB ' ' A' ' 50' ' ' ALA . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.2 m120 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 54' ' ' LEU . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.042 HD11 HD22 ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE1' HD23 ' A' ' 22' ' ' LEU . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.789 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.435 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.712 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 20' ' ' ILE . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 62' ' ' LEU . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.767 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.713 ' O ' HD12 ' A' ' 60' ' ' LEU . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.2 m120 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 22' ' ' LEU . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' A' ' 22' ' ' LEU . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 16' ' ' GLU . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' HD22 ' A' ' 69' ' ' LEU . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 28' ' ' HIS . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.746 ' HB3' HD11 ' A' ' 60' ' ' LEU . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.696 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.552 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 42' ' ' ILE . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 HD12 ' A' ' 54' ' ' LEU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.751 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.532 ' HG3' HD21 ' A' ' 22' ' ' LEU . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 15' ' ' ILE . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 47' ' ' ARG . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 19' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 62' ' ' LEU . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' SG ' ' A' ' 23' ' ' CYS . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.57 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CG2' HD13 ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 70' ' ' LEU . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 35' ' ' ILE . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 30' ' ' ILE . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 47' ' ' ARG . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.037 HD22 HD11 ' A' ' 20' ' ' ILE . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 62' ' ' LEU . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.777 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' H ' HG13 ' A' ' 13' ' ' VAL . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 23' ' ' CYS . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 1.082 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 60' ' ' LEU . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 1.6 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' HE2' HD23 ' A' ' 22' ' ' LEU . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 70' ' ' LEU . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 35' ' ' ILE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 HG13 ' A' ' 30' ' ' ILE . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.664 ' HG3' HD21 ' A' ' 22' ' ' LEU . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.082 HD22 HD11 ' A' ' 20' ' ' ILE . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 71' ' ' TYR . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.579 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.797 ' HB3' HD21 ' A' ' 62' ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 28' ' ' HIS . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.737 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 HD12 ' A' ' 42' ' ' ILE . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.821 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.652 HG22 ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.675 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.617 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HA ' HD12 ' A' ' 55' ' ' LEU . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 62' ' ' LEU . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 71' ' ' TYR . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.788 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' CG ' HD22 ' A' ' 69' ' ' LEU . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.796 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.961 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 23' ' ' CYS . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.798 ' SG ' HD13 ' A' ' 60' ' ' LEU . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' LEU . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 43' ' ' GLU . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 1.05 ' OE1' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 51' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.05 HG23 ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 47' ' ' ARG . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.798 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.675 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.776 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.515 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB3' HD21 ' A' ' 54' ' ' LEU . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.503 HG21 HD12 ' A' ' 54' ' ' LEU . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.5 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 60' ' ' LEU . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 22' ' ' LEU . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HD21 ' A' ' 70' ' ' LEU . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 mm-40 -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 16' ' ' GLU . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.597 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.612 ' HG2' HD22 ' A' ' 69' ' ' LEU . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 64' ' ' ARG . 3.4 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 42' ' ' ILE . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.712 ' HB3' HD21 ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.531 HG22 ' SG ' ' A' ' 23' ' ' CYS . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.88 HD11 HD22 ' A' ' 54' ' ' LEU . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.759 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.818 ' CE1' HD23 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.42 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.88 HD22 HD11 ' A' ' 20' ' ' ILE . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.562 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 60' ' ' LEU . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -44.08 135.15 4.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 0.801 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.12 106.19 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.69 170.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 145.09 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -59.97 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.47 176.31 14.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 71.12 5.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.21 101.26 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.6 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.89 158.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -61.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 13' ' ' VAL . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.828 ' SG ' HD13 ' A' ' 60' ' ' LEU . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.551 ' OG1' HG23 ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 20' ' ' ILE . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 62' ' ' LEU . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.828 HD13 ' SG ' ' A' ' 23' ' ' CYS . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.02 126.74 15.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.05 -163.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 p -56.7 127.74 32.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.789 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 75.71 175.01 37.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -105.69 165.1 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.805 ' HB3' HD11 ' A' ' 60' ' ' LEU . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.657 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.02 142.27 58.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.55 169.19 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -135.3 135.01 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.03 153.71 41.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.65 42.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -72.46 160.53 32.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -82.92 -34.9 26.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.96 87.65 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -59.48 105.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.9 -85.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -175.1 98.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.66 -58.0 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 167.99 15.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.69 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.99 106.66 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -50.1 116.64 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.51 150.33 0.28 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -61.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 13' ' ' VAL . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 60' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.812 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 20' ' ' ILE . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p -116.28 177.64 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -52.29 120.97 6.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m 63.46 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 59.5 -173.67 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CB ' HD21 ' A' ' 62' ' ' LEU . 4.3 mt -114.56 165.38 12.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.696 ' HB3' HD11 ' A' ' 60' ' ' LEU . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.707 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -62.6 137.66 58.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.99 169.69 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.11 92.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.058 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.16 154.47 24.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -58.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 133.98 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -84.16 132.36 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -133.36 146.96 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.4 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 83.1 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -114.5 177.31 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -65.01 157.38 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -76.46 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 69.66 5.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.43 1.753 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.92 93.53 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.31 100.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.93 156.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.95 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 16' ' ' GLU . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 60' ' ' LEU . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.725 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.719 HG22 ' HD3' ' A' ' 47' ' ' ARG . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HD3' HG22 ' A' ' 35' ' ' ILE . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 47' ' ' ARG . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.95 HD21 ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.761 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -106.83 -80.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -164.22 161.58 22.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' THR . 74.6 m 43.73 46.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.864 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 119.6 -158.6 15.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.4 OUTLIER -122.48 165.23 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.756 ' N ' HD23 ' A' ' 70' ' ' LEU . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.28 144.58 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.86 107.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 164.36 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.68 155.19 10.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.83 35.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 143.09 45.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 90.41 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -154.24 155.78 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -141.71 142.86 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.5 -176.1 17.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -173.16 135.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t 58.09 103.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.19 157.28 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.41 5.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -152.13 98.55 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.92 104.21 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.56 156.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.992 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 54' ' ' LEU . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 60' ' ' LEU . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' O ' HD11 ' A' ' 70' ' ' LEU . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 35' ' ' ILE . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 30' ' ' ILE . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.567 HD12 HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 47' ' ' ARG . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' TYR . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CB ' ' A' ' 69' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -126.52 169.09 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -43.31 131.76 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m 63.48 112.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.26 -170.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.638 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -104.57 165.83 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.712 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.814 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.92 101.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.94 123.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 p -70.53 -24.16 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.58 155.17 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.22 15.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.26 89.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.85 104.66 12.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.09 -58.28 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -138.44 112.83 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.39 134.35 6.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 170.53 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 120.04 40.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.69 159.4 7.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 27.8 m-20 59.79 89.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 67.7 96.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.03 160.08 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -61.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.815 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.007 HD11 HD22 ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.78 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG23 ' OG1' ' A' ' 31' ' ' THR . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 HG12 ' A' ' 15' ' ' ILE . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 9' ' ' ASP . 3.6 mm100 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 53' ' ' ARG . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' NH1' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.007 HD22 HD11 ' A' ' 20' ' ' ILE . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -173.38 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.13 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 68' ' ' GLY . 9.0 t -83.92 -145.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 67' ' ' THR . . . -42.32 165.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 69' ' ' LEU . 2.0 mt -72.56 164.69 26.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.793 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 60' ' ' LEU . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -63.3 147.56 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -173.07 144.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 p -170.81 -52.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.96 155.0 26.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 132.45 15.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 92.65 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 p -142.0 99.88 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.21 170.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.46 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.37 172.39 25.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 p -178.45 166.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.72 109.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 -145.61 13.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.54 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 62.15 85.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.1 116.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.22 156.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.745 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 16' ' ' GLU . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.714 HD11 HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.808 ' SG ' HD13 ' A' ' 60' ' ' LEU . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 22' ' ' LEU . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.744 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 22' ' ' LEU . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD21 ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.692 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 66' ' ' ASN . 5.2 t -143.85 126.66 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 65' ' ' SER . 7.3 t-20 79.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 p -65.2 -52.15 56.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.75 -179.15 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.15 164.46 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.744 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.825 ' HB3' HD11 ' A' ' 60' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -63.23 122.55 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -155.86 108.52 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.6 m -123.85 165.84 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.19 155.21 28.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.72 30.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.33 114.32 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.77 145.29 36.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 61.17 159.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.12 -127.58 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -115.17 176.81 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p 179.35 -76.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 80.76 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.9 110.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.89 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.97 161.76 0.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -61.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG12 HD12 ' A' ' 42' ' ' ILE . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.964 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' GLU . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.762 ' SG ' HD13 ' A' ' 60' ' ' LEU . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE1' HD23 ' A' ' 22' ' ' LEU . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG3' HD21 ' A' ' 22' ' ' LEU . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD12 HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.964 HD21 ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 72' ' ' ARG . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.29 -169.77 2.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 67' ' ' THR . 1.7 m-20 -48.59 124.72 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 2.6 m 80.66 -140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.77 -179.0 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -88.49 164.86 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.768 ' N ' HD23 ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.784 ' O ' HD12 ' A' ' 60' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? -64.03 116.46 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 4.9 m-20 61.67 117.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -115.58 -81.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.65 154.74 12.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 103.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.74 153.67 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -151.09 101.56 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -57.35 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 115.58 3.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -54.38 -43.72 71.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.13 -88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 127.99 178.96 15.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 78.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.23 -148.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 108.71 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.01 162.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 14' ' ' GLU . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.017 HD11 HD22 ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' A' ' 60' ' ' LEU . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG23 ' CE ' ' A' ' 39' ' ' MET . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.692 ' CE ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 42' ' ' ILE . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HD3' HG22 ' A' ' 35' ' ' ILE . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 20' ' ' ILE . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 62' ' ' LEU . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' A' ' 71' ' ' TYR . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.598 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 -179.71 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -52.18 139.92 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 m 63.38 96.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.56 -166.3 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.8 165.25 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.772 ' HB3' HD11 ' A' ' 60' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -65.26 153.48 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.19 -57.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.3 p -111.63 91.36 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.25 155.2 23.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 147.39 33.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -129.2 -60.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 t -122.34 167.96 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 65.24 109.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -93.82 -59.33 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 109.81 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -80.38 123.88 28.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 160.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.88 -85.33 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 68.15 113.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 69.6 106.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.07 160.18 0.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -60.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.523 HG22 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.6 m120 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG21 HD22 ' A' ' 60' ' ' LEU . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 22' ' ' LEU . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.514 HG22 ' HD3' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' O ' HD12 ' A' ' 51' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 47' ' ' ARG . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 16' ' ' GLU . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.665 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t -107.63 175.0 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -44.97 -53.47 7.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' THR . 15.0 t -94.89 116.42 28.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 42.23 -153.47 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -111.01 165.09 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.705 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 127.2 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.87 134.97 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.58 104.85 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.24 -87.38 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 74.1 4.11 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.54 167.15 12.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 p -132.41 153.86 50.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.72 161.38 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -138.25 148.18 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.33 152.71 29.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.15 95.16 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -101.82 169.18 8.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 73.1 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -34.16 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 16.8 t70 -162.14 114.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 69.94 106.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.42 159.2 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.838 ' SG ' HD13 ' A' ' 60' ' ' LEU . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 HD11 ' A' ' 35' ' ' ILE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 34' ' ' VAL . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' OG1' ' A' ' 31' ' ' THR . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 30' ' ' ILE . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 22' ' ' LEU . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.838 HD13 ' SG ' ' A' ' 23' ' ' CYS . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HE ' HD13 ' A' ' 69' ' ' LEU . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -143.69 142.23 30.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.3 t-20 43.83 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 m -63.76 112.58 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 155.39 31.52 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -87.34 164.45 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.789 ' HB3' HD11 ' A' ' 60' ' ' LEU . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.68 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -63.31 141.36 58.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -158.08 -57.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -69.97 87.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 154.91 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.9 t -68.19 94.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -59.51 -60.57 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.941 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -107.72 165.27 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.12 101.84 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.93 117.38 6.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -147.41 134.62 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 96.35 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -85.52 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.18 6.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.28 105.02 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . 56.75 103.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -41.49 161.38 0.14 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG12 HD12 ' A' ' 42' ' ' ILE . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 60' ' ' LEU . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.735 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.447 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.883 HD13 HD11 ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.78 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.689 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.555 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -131.86 177.14 7.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.7 m120 -49.61 162.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m 67.36 -72.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -149.8 -173.42 20.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -80.43 164.65 22.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.779 ' HB3' HD11 ' A' ' 60' ' ' LEU . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.94 122.95 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -172.31 103.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.3 p -106.25 89.1 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.47 155.17 24.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.8 6.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 103.14 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 p -138.83 -58.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -106.34 142.28 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -152.31 137.49 17.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.58 87.21 0.98 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -100.45 77.97 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -178.19 125.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.99 -155.24 30.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -74.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -166.6 87.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.88 97.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.29 155.9 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.622 HG22 ' CB ' ' A' ' 50' ' ' ALA . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.2 m120 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 54' ' ' LEU . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.042 HD11 HD22 ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE1' HD23 ' A' ' 22' ' ' LEU . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.789 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.435 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.712 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 20' ' ' ILE . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 62' ' ' LEU . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -125.39 -80.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.72 163.87 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' THR . 3.4 m 43.9 29.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.659 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 133.34 -175.88 19.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.96 165.42 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.767 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.713 ' O ' HD12 ' A' ' 60' ' ' LEU . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -64.0 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -176.61 142.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.31 82.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.03 155.37 16.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.82 34.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -121.37 118.07 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.2 m -81.48 84.1 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.18 164.11 13.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -161.84 121.68 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -123.18 7.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.06 153.93 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -146.93 -56.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 97.01 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 69.95 5.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -145.39 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 73.95 110.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.31 158.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.2 m120 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 22' ' ' LEU . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' A' ' 22' ' ' LEU . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 16' ' ' GLU . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' HD22 ' A' ' 69' ' ' LEU . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -115.62 -70.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 178.74 166.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 t 39.32 42.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.63 148.45 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -74.82 165.3 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 28' ' ' HIS . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.746 ' HB3' HD11 ' A' ' 60' ' ' LEU . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.696 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt -63.88 147.14 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 56.52 103.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.94 101.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.47 155.15 29.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 m -139.9 108.65 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.0 p -175.68 160.72 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -125.6 93.29 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -41.55 132.76 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.57 148.75 3.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.41 78.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -139.17 99.51 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.74 68.81 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.96 5.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.1 114.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -121.41 8.0 10.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.6 OUTLIER 59.46 152.61 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -65.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.552 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 42' ' ' ILE . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 HD12 ' A' ' 54' ' ' LEU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.751 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.532 ' HG3' HD21 ' A' ' 22' ' ' LEU . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 15' ' ' ILE . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 47' ' ' ARG . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 19' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 62' ' ' LEU . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' SG ' ' A' ' 23' ' ' CYS . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.57 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t -110.62 -84.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -166.73 157.41 12.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.3 p 45.9 38.01 4.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.51 158.84 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -86.87 165.05 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.85 137.39 56.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -156.5 169.47 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -118.01 119.47 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.45 155.39 48.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -112.25 103.44 11.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 t -48.38 139.95 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -160.36 105.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -73.96 146.86 43.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.91 128.08 11.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.55 170.2 16.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.03 115.92 28.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.39 -85.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.64 5.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.83 110.23 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.56 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.39 156.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CG2' HD13 ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 70' ' ' LEU . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 35' ' ' ILE . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 30' ' ' ILE . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 47' ' ' ARG . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.037 HD22 HD11 ' A' ' 20' ' ' ILE . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 62' ' ' LEU . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.38 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -48.14 141.58 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m 63.5 94.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.54 -170.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -96.97 165.96 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.777 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.11 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.99 166.69 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -129.83 -62.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.18 155.34 1.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 76.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.6 m -112.98 140.79 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 m -101.08 103.7 14.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -74.15 129.71 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -101.3 -60.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 -176.99 7.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 145.6 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -170.5 165.26 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -81.1 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 18.2 Cg_endo -74.99 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -170.78 54.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' HE22 ' A' ' 46' ' ' GLN . . . -116.49 2.29 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 t0 60.7 148.01 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' H ' HG13 ' A' ' 13' ' ' VAL . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 23' ' ' CYS . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.082 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 60' ' ' LEU . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 1.6 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' HE2' HD23 ' A' ' 22' ' ' LEU . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 70' ' ' LEU . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 35' ' ' ILE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 HG13 ' A' ' 30' ' ' ILE . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.664 ' HG3' HD21 ' A' ' 22' ' ' LEU . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' A' ' 8' ' ' PRO . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.082 HD22 HD11 ' A' ' 20' ' ' ILE . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 71' ' ' TYR . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.579 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p -113.16 57.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' GLY . 73.8 m-20 59.0 157.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m 48.93 -94.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -92.62 164.19 27.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.797 ' HB3' HD21 ' A' ' 62' ' ' LEU . 1.8 mt -94.82 165.23 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 28' ' ' HIS . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.737 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -65.35 120.22 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' O ' ' NH2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -173.26 123.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.57 121.32 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.56 155.18 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.82 21.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -86.75 157.58 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.04 110.5 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -172.71 162.05 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -133.72 -57.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.12 63.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -100.1 145.01 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -50.69 117.88 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.6 -85.25 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 62.17 5.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -145.88 109.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.54 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.43 150.16 0.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -60.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 HD12 ' A' ' 42' ' ' ILE . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.821 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.652 HG22 ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.675 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.617 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HA ' HD12 ' A' ' 55' ' ' LEU . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 62' ' ' LEU . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 71' ' ' TYR . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.788 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' CG ' HD22 ' A' ' 69' ' ' LEU . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -94.22 169.5 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.15 -67.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 m -55.4 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.648 ' C ' HD23 ' A' ' 69' ' ' LEU . . . -116.24 -139.16 6.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.648 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -111.16 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.796 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.44 126.52 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -161.38 134.28 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 165.61 21.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.86 -87.54 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -97.31 137.14 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.99 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 60.78 118.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -54.47 97.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 96.76 2.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -174.92 164.37 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -48.92 107.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -142.34 8.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.14 4.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -177.62 124.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -91.29 18.1 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 13' ' ' VAL . 3.6 t0 60.77 148.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 11' ' ' ASP . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.961 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 23' ' ' CYS . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.798 ' SG ' HD13 ' A' ' 60' ' ' LEU . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' LEU . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 43' ' ' GLU . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 1.05 ' OE1' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 51' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.05 HG23 ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 47' ' ' ARG . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.798 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.675 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.621 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -115.34 169.01 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.48 117.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m 62.64 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 57.08 177.71 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt -109.18 165.31 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.764 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.776 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.85 138.9 58.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -44.95 -58.31 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -93.46 96.92 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.99 -87.38 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.65 41.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -59.68 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 147.96 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.53 85.7 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -159.45 -57.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.65 -158.93 27.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.86 99.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 58.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.75 -147.34 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.48 117.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.3 105.25 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 161.47 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -60.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.515 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB3' HD21 ' A' ' 54' ' ' LEU . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.503 HG21 HD12 ' A' ' 54' ' ' LEU . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 60' ' ' LEU . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 22' ' ' LEU . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HD21 ' A' ' 70' ' ' LEU . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 mm-40 -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 16' ' ' GLU . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.597 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.612 ' HG2' HD22 ' A' ' 69' ' ' LEU . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.53 134.99 24.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.31 -154.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -55.02 -90.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 69' ' ' LEU . . . -65.75 -178.77 8.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 64' ' ' ARG . 3.4 mt -98.53 165.14 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -64.2 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.15 -51.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.03 97.51 8.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.67 155.27 12.54 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -172.42 113.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 p -132.06 128.21 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -113.51 143.37 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -43.49 119.97 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.51 165.31 34.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -160.09 120.29 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -135.96 79.53 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.03 74.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.6 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.29 111.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -130.85 105.98 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -39.53 150.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 42' ' ' ILE . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.712 ' HB3' HD21 ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.531 HG22 ' SG ' ' A' ' 23' ' ' CYS . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.88 HD11 HD22 ' A' ' 54' ' ' LEU . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.759 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.818 ' CE1' HD23 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.42 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.88 HD22 HD11 ' A' ' 20' ' ' ILE . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.562 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.64 141.67 21.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 50.28 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 67' ' ' THR . 10.1 t -54.74 113.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.44 -176.25 41.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.73 165.33 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 60' ' ' LEU . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.61 145.11 45.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 72' ' ' ARG . 46.9 m-20 -49.73 137.51 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 t -97.44 -59.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.9 154.82 21.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.52 137.08 41.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.28 155.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 HD22 ' A' ' 17' ' ' ASN . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 13' ' ' VAL . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.432 HD22 HG22 ' A' ' 13' ' ' VAL . 6.7 m-20 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.828 ' SG ' HD13 ' A' ' 60' ' ' LEU . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.551 ' OG1' HG23 ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 20' ' ' ILE . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 62' ' ' LEU . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.828 HD13 ' SG ' ' A' ' 23' ' ' CYS . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.805 ' HB3' HD11 ' A' ' 60' ' ' LEU . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.657 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 13' ' ' VAL . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 60' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.812 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 20' ' ' ILE . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CB ' HD21 ' A' ' 62' ' ' LEU . 4.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.696 ' HB3' HD11 ' A' ' 60' ' ' LEU . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.707 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.95 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 16' ' ' GLU . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 60' ' ' LEU . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.725 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.719 HG22 ' HD3' ' A' ' 47' ' ' ARG . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HD3' HG22 ' A' ' 35' ' ' ILE . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 47' ' ' ARG . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.95 HD21 ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.761 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.782 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.756 ' N ' HD23 ' A' ' 70' ' ' LEU . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.992 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 54' ' ' LEU . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 60' ' ' LEU . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' O ' HD11 ' A' ' 70' ' ' LEU . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 35' ' ' ILE . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 30' ' ' ILE . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.567 HD12 HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 47' ' ' ARG . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' TYR . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CB ' ' A' ' 69' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.638 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.712 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.814 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.815 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.007 HD11 HD22 ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.78 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG23 ' OG1' ' A' ' 31' ' ' THR . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 HG12 ' A' ' 15' ' ' ILE . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 53' ' ' ARG . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' NH1' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.007 HD22 HD11 ' A' ' 20' ' ' ILE . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.793 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 60' ' ' LEU . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.745 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 16' ' ' GLU . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.714 HD11 HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.808 ' SG ' HD13 ' A' ' 60' ' ' LEU . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 22' ' ' LEU . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.744 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 22' ' ' LEU . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD21 ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.692 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.744 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.825 ' HB3' HD11 ' A' ' 60' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 HG12 HD12 ' A' ' 42' ' ' ILE . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.964 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' GLU . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.762 ' SG ' HD13 ' A' ' 60' ' ' LEU . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE1' HD23 ' A' ' 22' ' ' LEU . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG3' HD21 ' A' ' 22' ' ' LEU . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD12 HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.964 HD21 ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 72' ' ' ARG . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.768 ' N ' HD23 ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.784 ' O ' HD12 ' A' ' 60' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 14' ' ' GLU . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.017 HD11 HD22 ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' A' ' 60' ' ' LEU . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG23 ' CE ' ' A' ' 39' ' ' MET . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.692 ' CE ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 42' ' ' ILE . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HD3' HG22 ' A' ' 35' ' ' ILE . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 20' ' ' ILE . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 62' ' ' LEU . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' A' ' 71' ' ' TYR . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.598 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.772 ' HB3' HD11 ' A' ' 60' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.573 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.523 HG22 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 6.2 m-80 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG21 HD22 ' A' ' 60' ' ' LEU . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 22' ' ' LEU . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.514 HG22 ' HD3' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' O ' HD12 ' A' ' 51' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 47' ' ' ARG . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 16' ' ' GLU . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.665 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.705 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.838 ' SG ' HD13 ' A' ' 60' ' ' LEU . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 HD11 ' A' ' 35' ' ' ILE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 34' ' ' VAL . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' OG1' ' A' ' 31' ' ' THR . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 30' ' ' ILE . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 22' ' ' LEU . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.838 HD13 ' SG ' ' A' ' 23' ' ' CYS . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HE ' HD13 ' A' ' 69' ' ' LEU . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.564 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.789 ' HB3' HD11 ' A' ' 60' ' ' LEU . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.68 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG12 HD12 ' A' ' 42' ' ' ILE . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 60' ' ' LEU . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.735 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.447 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.883 HD13 HD11 ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.78 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.689 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.555 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.673 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.779 ' HB3' HD11 ' A' ' 60' ' ' LEU . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.622 HG22 ' CB ' ' A' ' 50' ' ' ALA . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.4 m-80 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 54' ' ' LEU . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.042 HD11 HD22 ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE1' HD23 ' A' ' 22' ' ' LEU . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.789 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.435 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.712 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 20' ' ' ILE . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 62' ' ' LEU . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.585 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.767 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.713 ' O ' HD12 ' A' ' 60' ' ' LEU . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.9 m-80 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 22' ' ' LEU . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' A' ' 22' ' ' LEU . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 16' ' ' GLU . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' HD22 ' A' ' 69' ' ' LEU . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 28' ' ' HIS . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.746 ' HB3' HD11 ' A' ' 60' ' ' LEU . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.696 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.552 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 42' ' ' ILE . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 HD22 HG22 ' A' ' 13' ' ' VAL . 3.6 m-20 -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 HD12 ' A' ' 54' ' ' LEU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.751 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.532 ' HG3' HD21 ' A' ' 22' ' ' LEU . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 15' ' ' ILE . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 47' ' ' ARG . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 19' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 62' ' ' LEU . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' SG ' ' A' ' 23' ' ' CYS . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.57 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CG2' HD13 ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 70' ' ' LEU . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 35' ' ' ILE . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 30' ' ' ILE . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 47' ' ' ARG . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.037 HD22 HD11 ' A' ' 20' ' ' ILE . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 62' ' ' LEU . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.564 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.777 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' H ' HG13 ' A' ' 13' ' ' VAL . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 23' ' ' CYS . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 1.082 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 60' ' ' LEU . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' HE2' HD23 ' A' ' 22' ' ' LEU . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 70' ' ' LEU . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 35' ' ' ILE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 HG13 ' A' ' 30' ' ' ILE . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.664 ' HG3' HD21 ' A' ' 22' ' ' LEU . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.082 HD22 HD11 ' A' ' 20' ' ' ILE . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 71' ' ' TYR . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.579 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.797 ' HB3' HD21 ' A' ' 62' ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 28' ' ' HIS . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.737 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 HD12 ' A' ' 42' ' ' ILE . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.821 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.652 HG22 ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.675 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.617 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HA ' HD12 ' A' ' 55' ' ' LEU . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 62' ' ' LEU . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 71' ' ' TYR . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.788 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' CG ' HD22 ' A' ' 69' ' ' LEU . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.796 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.961 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 23' ' ' CYS . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.798 ' SG ' HD13 ' A' ' 60' ' ' LEU . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' LEU . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 43' ' ' GLU . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 1.05 ' OE1' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 51' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.05 HG23 ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 47' ' ' ARG . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.798 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.675 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.776 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.515 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB3' HD21 ' A' ' 54' ' ' LEU . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.503 HG21 HD12 ' A' ' 54' ' ' LEU . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.5 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 60' ' ' LEU . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 22' ' ' LEU . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HD21 ' A' ' 70' ' ' LEU . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 16' ' ' GLU . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.597 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.612 ' HG2' HD22 ' A' ' 69' ' ' LEU . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 64' ' ' ARG . 3.4 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 42' ' ' ILE . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.712 ' HB3' HD21 ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.531 HG22 ' SG ' ' A' ' 23' ' ' CYS . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.88 HD11 HD22 ' A' ' 54' ' ' LEU . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.759 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.818 ' CE1' HD23 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.42 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.88 HD22 HD11 ' A' ' 20' ' ' ILE . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.562 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 60' ' ' LEU . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -44.08 135.15 4.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 0.801 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.12 106.19 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.69 170.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 145.09 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -59.97 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.47 176.31 14.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 71.12 5.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.21 101.26 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.6 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.89 158.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -61.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 HD22 ' A' ' 17' ' ' ASN . 3.2 p -40.05 -52.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 13' ' ' VAL . 2.5 mm-40 -49.87 -56.68 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 50' ' ' ALA . 50.7 mt -50.95 -53.97 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 54' ' ' LEU . 39.3 mt-10 -54.83 -58.45 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.432 HD22 HG22 ' A' ' 13' ' ' VAL . 6.7 m-20 -45.23 -48.41 12.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -47.3 58.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 4.8 mt -60.63 -39.31 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.79 HD11 HD22 ' A' ' 54' ' ' LEU . 14.8 mm -58.46 -54.51 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.34 -35.34 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.51 -55.95 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.828 ' SG ' HD13 ' A' ' 60' ' ' LEU . 83.5 m -46.51 -28.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 22' ' ' LEU . 11.0 m-70 -77.13 -43.94 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 13.3 mm-40 -63.28 -38.17 90.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -113.93 103.79 55.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -25.16 12.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -73.81 -35.12 64.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.579 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.57 174.86 13.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.418 1.074 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' TYR . 40.9 pt -136.49 133.63 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.551 ' OG1' HG23 ' A' ' 34' ' ' VAL . 70.0 p -91.31 146.91 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -41.83 -42.47 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -53.27 -45.78 68.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 31' ' ' THR . 66.9 t -54.48 -64.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 3.5 mt -48.2 -28.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -65.79 -50.12 65.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.71 -25.62 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 26.7 mm-40 -81.4 -35.29 30.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ILE . 36.9 mtm -147.87 70.7 11.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.25 9.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -91.74 -25.78 18.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.571 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.5 mm -57.7 161.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -92.7 161.02 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -50.69 72.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.54 -41.39 84.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.6 mm100 -61.23 -44.11 97.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.8 mtm105 -61.07 -48.3 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.33 -55.01 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.56 -67.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -48.37 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.08 -62.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -48.88 -46.8 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -58.3 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.79 HD22 HD11 ' A' ' 20' ' ' ILE . 83.7 mt -55.25 -41.65 72.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 62' ' ' LEU . 89.4 mt -56.38 -51.17 69.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -68.77 -58.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.418 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -37.58 -41.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.66 18.08 15.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -96.36 -35.8 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.828 HD13 ' SG ' ' A' ' 23' ' ' CYS . 34.6 tp -106.48 146.52 30.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.48 126.02 50.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 142.89 27.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -141.52 105.7 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -78.98 106.77 11.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.02 126.74 15.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.05 -163.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 p -56.7 127.74 32.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.789 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 75.71 175.01 37.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -105.69 165.1 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.0 tt -120.27 152.73 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.805 ' HB3' HD11 ' A' ' 60' ' ' LEU . 4.8 m-85 -132.91 121.24 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.657 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 ptt-85 -128.39 175.09 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -70.72 128.33 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.02 142.27 58.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.55 169.19 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -135.3 135.01 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.03 153.71 41.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.65 42.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 p -72.46 160.53 32.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -82.92 -34.9 26.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -117.96 87.65 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -59.48 105.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.9 -85.93 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -175.1 98.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.66 -58.0 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 167.99 15.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.69 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.99 106.66 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -50.1 116.64 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -40.51 150.33 0.28 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -61.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.3 p -41.28 -53.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 13' ' ' VAL . 3.8 mp0 -48.94 -57.26 6.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 42' ' ' ILE . 46.9 mt -49.32 -48.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.827 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.6 mt-10 -58.11 -58.16 9.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -41.71 -40.59 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -54.69 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 60' ' ' LEU . 13.1 mt -52.69 -36.62 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -61.53 -48.54 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.06 -33.94 69.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.44 -50.81 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.812 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.1 m -50.33 -31.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -75.7 -45.87 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.75 -36.8 79.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 22' ' ' LEU . 66.0 m-85 -117.61 104.85 48.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.22 13.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -73.77 -39.47 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 136.54 172.61 12.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.8 pt -135.69 142.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -99.37 156.51 16.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -46.44 -41.82 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -50.07 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ASN . 53.2 t -52.01 -72.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -41.98 -30.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.55 -48.95 73.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -73.21 -22.18 60.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.23 -41.57 20.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 35.9 mtm -142.52 71.44 20.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.27 11.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -88.26 -25.97 22.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.633 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 15' ' ' ILE . 5.1 mm -61.96 149.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.5 mm-40 -79.43 165.74 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.98 98.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -75.36 -40.38 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 12.5 mm100 -61.11 -42.26 98.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.2 -51.13 67.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.94 -55.11 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.5 t -40.5 -65.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.48 -63.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -46.2 -58.86 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -42.25 -57.36 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 20' ' ' ILE . 66.3 mt -55.14 -51.82 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -46.4 -47.33 18.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 1.1 t -72.88 -60.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -37.33 -33.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.07 23.33 25.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -101.49 -29.06 12.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.4 tp -112.33 149.42 32.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -120.37 120.53 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.0 120.08 27.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -118.45 107.79 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -75.8 106.46 7.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 p -116.28 177.64 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -52.29 120.97 6.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m 63.46 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 59.5 -173.67 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CB ' HD21 ' A' ' 62' ' ' LEU . 4.3 mt -114.56 165.38 12.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.696 ' HB3' HD11 ' A' ' 60' ' ' LEU . 17.4 m-85 -129.02 118.75 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.707 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -130.09 178.37 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.89 128.2 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -62.6 137.66 58.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.99 169.69 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.11 92.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.058 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.16 154.47 24.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -58.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 133.98 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -84.16 132.36 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -133.36 146.96 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.4 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 83.1 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -114.5 177.31 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -65.01 157.38 28.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -76.46 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 69.66 5.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.43 1.753 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.92 93.53 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.31 100.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.93 156.6 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -40.22 -53.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.0 -58.9 4.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.4 mt -45.11 -60.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.95 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.3 mt-10 -45.79 -56.18 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.8 m-80 -44.74 -57.59 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -46.87 4.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 16' ' ' GLU . 49.1 mt -60.02 -42.3 89.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' ASN . 9.2 mm -56.9 -45.64 83.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.19 -35.92 78.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -73.97 -52.82 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 60' ' ' LEU . 70.8 m -50.59 -29.78 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -81.71 -39.58 24.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.38 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 22' ' ' LEU . 79.8 m-85 -119.01 105.91 44.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.051 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -80.42 -37.24 32.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.725 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.22 172.78 12.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 22' ' ' LEU . 41.2 pt -134.05 142.49 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 33' ' ' GLN . 18.1 p -97.01 150.27 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -24.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 31' ' ' THR . 6.9 mt-30 -66.23 -45.9 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ASN . 92.3 t -56.55 -69.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.719 HG22 ' HD3' ' A' ' 47' ' ' ARG . 4.4 mt -41.08 -32.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.1 -51.24 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.3 t-20 -70.89 -17.3 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -85.25 -45.95 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -140.96 70.82 29.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.54 11.36 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.781 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -90.35 -9.05 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 mm -77.15 155.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.01 147.67 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.08 63.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -78.41 -32.1 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -67.48 -57.98 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HD3' HG22 ' A' ' 35' ' ' ILE . 2.4 mtm105 -49.05 -45.24 42.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.23 -57.36 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -40.03 -61.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . . . -47.57 -51.45 21.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 47' ' ' ARG . 12.6 mt -53.72 -63.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.61 -50.58 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -61.98 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.95 HD21 ' HB3' ' A' ' 16' ' ' GLU . 81.8 mt -53.84 -37.75 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -59.66 -43.9 93.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.8 t -77.64 -60.99 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' OE2' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -38.59 -31.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 92.09 21.18 33.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -94.8 -29.15 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.6 tp -112.54 151.91 29.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.761 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -122.53 122.65 39.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.87 143.13 27.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -142.71 105.53 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.49 108.57 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -106.83 -80.02 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -164.22 161.58 22.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' THR . 74.6 m 43.73 46.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.864 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 119.6 -158.6 15.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.4 OUTLIER -122.48 165.23 16.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -116.07 160.88 19.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.756 ' N ' HD23 ' A' ' 70' ' ' LEU . 10.7 m-85 -136.76 121.2 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -135.74 176.12 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.84 130.47 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.28 144.58 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.86 107.68 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 164.36 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.68 155.19 10.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.83 35.9 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.82 143.09 45.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 90.41 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -154.24 155.78 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -141.71 142.86 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.5 -176.1 17.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -173.16 135.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t 58.09 103.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.19 157.28 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.41 5.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -152.13 98.55 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.92 104.21 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.56 156.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.57 -53.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -49.98 -62.07 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 42' ' ' ILE . 73.3 mt -41.89 -58.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.992 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -47.91 -61.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.6 m-80 -40.41 -55.89 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -49.53 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 mt -58.9 -44.86 91.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 54' ' ' LEU . 15.8 mm -55.65 -58.34 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -47.61 -36.05 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -74.24 -57.07 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 60' ' ' LEU . 53.2 m -46.74 -30.84 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -75.21 -43.89 49.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.4 mm100 -64.06 -34.94 79.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 22' ' ' LEU . 41.8 m-85 -120.27 104.33 43.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -23.2 13.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' O ' HD11 ' A' ' 70' ' ' LEU . 31.0 m170 -73.93 -35.24 64.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.642 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 129.96 172.28 13.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 35' ' ' ILE . 12.3 pt -134.05 154.84 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 p -110.14 156.38 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -53.5 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.57 -56.21 4.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 36' ' ' GLN . 58.4 t -46.94 -70.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 30' ' ' ILE . 8.1 mt -47.97 -24.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 34' ' ' VAL . 1.7 tt0 -73.58 -54.53 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.55 -16.39 63.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 22' ' ' LEU . 51.7 mm-40 -94.2 -47.37 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.01 67.87 78.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.54 20.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -83.78 4.64 28.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.567 HD12 HG12 ' A' ' 15' ' ' ILE . 17.4 mm -91.35 142.93 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 7.0 mt-10 -74.47 160.88 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.37 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -78.46 -43.02 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.7 mm100 -59.22 -41.35 88.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.02 -48.09 81.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.23 -53.12 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.4 t -40.02 -64.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.12 -52.31 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 47' ' ' ARG . 26.4 mt -53.45 -62.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -43.6 -49.91 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 16' ' ' GLU . 70.8 mt -50.19 -50.77 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 62' ' ' LEU . 83.3 mt -42.46 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -60.17 -58.35 8.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.01 -41.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.04 21.9 9.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -103.5 -11.9 17.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' TYR . 42.0 tp -137.32 138.93 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.45 124.09 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CB ' ' A' ' 69' ' ' LEU . 1.3 tt -86.91 134.22 33.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -131.12 112.39 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -75.99 106.66 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -126.52 169.09 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.93 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -43.31 131.76 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 m 63.48 112.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.26 -170.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.638 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -104.57 165.83 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.712 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -115.92 159.97 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.814 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.8 m-85 -135.28 115.02 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.2 ptt180 -122.77 179.85 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -70.51 124.61 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.92 101.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.94 123.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 p -70.53 -24.16 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.58 155.17 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 132.22 15.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.26 89.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.85 104.66 12.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.09 -58.28 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -138.44 112.83 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.39 134.35 6.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 170.53 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 120.04 40.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.69 159.4 7.91 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 27.8 m-20 59.79 89.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 67.7 96.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.03 160.08 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -61.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.5 p -40.97 -52.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -48.96 -60.97 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 50' ' ' ALA . 59.9 mt -43.03 -61.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.815 ' HB3' HD21 ' A' ' 54' ' ' LEU . 35.4 mt-10 -48.08 -58.93 3.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -41.27 -56.18 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -55.27 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.1 mt -50.92 -49.74 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.007 HD11 HD22 ' A' ' 54' ' ' LEU . 11.4 mm -48.25 -57.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -49.3 -35.31 17.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.01 -56.21 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.9 m -48.7 -27.54 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.02 -44.4 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.63 -34.07 77.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 22' ' ' LEU . 47.6 m-85 -120.33 104.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -69.27 -42.54 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.78 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.7 166.91 10.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 35' ' ' ILE . 5.3 pt -126.16 159.81 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ASP . 55.5 p -112.33 149.27 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.8 p-10 -40.43 -39.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 31.6 tt0 -55.84 -56.98 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG23 ' OG1' ' A' ' 31' ' ' THR . 78.5 t -44.67 -67.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 30' ' ' ILE . 15.3 mt -47.83 -25.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.5 tt0 -72.03 -53.71 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -18.25 64.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -90.09 -50.92 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 68.84 79.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.18 19.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -82.88 5.2 22.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 HG12 ' A' ' 15' ' ' ILE . 16.1 mm -89.41 145.15 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.52 153.17 31.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.2 -39.21 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.95 -44.79 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.63 -39.8 85.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.84 -38.41 88.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.59 -51.8 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 53' ' ' ARG . 2.9 t -42.43 -67.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.15 -47.69 17.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.5 mt -55.56 -62.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.1 -55.04 9.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' NH1' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -46.59 -58.72 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.007 HD22 HD11 ' A' ' 20' ' ' ILE . 67.6 mt -54.02 -46.57 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 62' ' ' LEU . 91.2 mt -52.07 -52.28 52.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -67.69 -60.99 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.62 -36.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.13 21.06 23.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -98.5 -22.02 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -119.76 146.75 45.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -117.28 127.38 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -88.18 134.67 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.78 105.66 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 106.72 11.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -173.38 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.13 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 68' ' ' GLY . 9.0 t -83.92 -145.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 67' ' ' THR . . . -42.32 165.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt -72.56 164.69 26.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.6 tt -125.22 158.54 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.793 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.9 m-85 -136.88 122.43 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.725 ' O ' HD12 ' A' ' 60' ' ' LEU . 14.3 ptt180 -129.2 179.36 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.88 126.24 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -63.3 147.56 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -173.07 144.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 p -170.81 -52.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.96 155.0 26.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 132.45 15.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.2 92.65 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 p -142.0 99.88 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.21 170.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.46 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.37 172.39 25.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 p -178.45 166.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.72 109.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.02 -145.61 13.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.54 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 62.15 85.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.1 116.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.22 156.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.9 p -40.39 -52.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.2 -51.58 61.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 ' CB ' ' A' ' 50' ' ' ALA . 49.9 mt -50.3 -40.06 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.745 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -69.22 -49.82 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.21 -47.2 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -44.9 77.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 16' ' ' GLU . 11.8 mt -59.86 -39.17 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.714 HD11 HD13 ' A' ' 54' ' ' LEU . 10.3 mm -58.17 -54.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -35.94 46.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -74.74 -56.68 4.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.808 ' SG ' HD13 ' A' ' 60' ' ' LEU . 81.0 m -48.89 -28.55 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.64 -36.42 32.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.6 mm100 -68.16 -31.19 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 22' ' ' LEU . 64.6 m-85 -120.67 104.86 41.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.14 19.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.412 1.743 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -84.66 -32.26 23.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.622 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.744 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 130.01 175.66 14.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 35' ' ' ILE . 7.6 pt -133.22 157.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 33' ' ' GLN . 62.8 p -110.97 146.49 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -42.69 -29.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 1.4 tp60 -64.6 -51.61 61.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.9 t -50.38 -67.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 30' ' ' ILE . 20.7 mt -45.23 -28.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.9 tt0 -65.79 -49.93 66.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -20.06 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 22' ' ' LEU . 65.4 mm-40 -85.62 -43.46 13.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 24.1 mtm -144.21 70.17 16.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -75.06 0.37 9.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -93.3 -9.94 37.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.3 mm -73.57 157.13 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.7 mt-10 -86.08 157.28 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.45 91.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -77.03 -42.93 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.27 -40.17 89.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -65.21 -46.66 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.15 50.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.34 -67.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.46 -49.34 13.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -55.25 -62.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -46.94 -52.11 15.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -59.74 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD21 ' HB3' ' A' ' 16' ' ' GLU . 46.4 mt -57.13 -43.38 82.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 62' ' ' LEU . 59.8 mt -51.5 -39.0 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 58' ' ' GLY . 6.8 t -82.34 -59.88 2.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -27.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.41 20.34 38.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -94.5 -28.45 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 71' ' ' TYR . 32.1 tp -118.67 147.07 44.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.79 127.26 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.692 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -89.34 125.97 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.34 105.76 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.08 107.21 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 66' ' ' ASN . 5.2 t -143.85 126.66 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 65' ' ' SER . 7.3 t-20 79.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 p -65.2 -52.15 56.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.75 -179.15 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.15 164.46 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.744 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.1 tt -124.36 150.24 45.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.825 ' HB3' HD11 ' A' ' 60' ' ' LEU . 14.1 m-85 -129.92 124.99 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -130.71 177.75 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 126.73 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -63.23 122.55 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -155.86 108.52 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.6 m -123.85 165.84 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.19 155.21 28.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.72 30.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.33 114.32 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.77 145.29 36.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 61.17 159.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.12 -127.58 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -115.17 176.81 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p 179.35 -76.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 80.76 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.9 110.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.89 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.97 161.76 0.19 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -61.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -40.19 -53.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -49.75 -61.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.178 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG12 HD12 ' A' ' 42' ' ' ILE . 65.6 mt -41.89 -57.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.964 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.5 mt-10 -48.95 -62.61 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ILE . 5.0 m-80 -40.47 -58.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -38.68 -49.61 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 16' ' ' GLU . 14.4 mt -59.92 -47.18 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' ASN . 11.0 mm -51.47 -48.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.91 -33.62 70.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -76.83 -56.98 4.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.762 ' SG ' HD13 ' A' ' 60' ' ' LEU . 89.6 m -48.2 -28.94 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -42.62 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.81 -37.32 86.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE1' HD23 ' A' ' 22' ' ' LEU . 51.4 m-85 -114.38 103.81 54.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.34 16.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.793 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -96.22 -41.4 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.631 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.49 170.82 11.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' ILE . 3.0 pt -132.37 144.28 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' VAL . 18.1 p -93.14 149.88 20.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -41.74 -40.86 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.99 -46.49 85.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' THR . 37.8 t -55.1 -70.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 30' ' ' ILE . 22.7 mt -42.25 -29.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 3.2 tt0 -71.39 -53.32 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.11 -17.71 62.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG3' HD21 ' A' ' 22' ' ' LEU . 19.3 mm-40 -93.27 -54.49 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.11 68.31 79.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.98 -16.59 20.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -70.97 -9.7 58.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.582 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD12 HG12 ' A' ' 15' ' ' ILE . 2.4 mm -74.4 163.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -94.74 161.54 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.16 46.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 17.5 mt-30 -66.15 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.71 -57.97 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 7.5 mtm105 -49.21 -46.07 45.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.75 -57.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.5 t -40.17 -62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . . . -47.25 -50.73 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.5 mt -54.6 -62.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.0 t-20 -45.12 -49.21 11.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.964 HD21 ' HB3' ' A' ' 16' ' ' GLU . 82.9 mt -51.85 -44.83 63.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 62' ' ' LEU . 49.5 mt -46.7 -62.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 58' ' ' GLY . 25.6 t -62.53 -60.73 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -29.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 89.5 26.73 24.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.63 -11.54 17.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 72' ' ' ARG . 38.6 tp -135.61 136.99 41.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.45 122.37 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.2 tt -89.08 144.23 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -142.72 105.74 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 106.85 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.29 -169.77 2.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 67' ' ' THR . 1.7 m-20 -48.59 124.72 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 2.6 m 80.66 -140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.77 -179.0 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -88.49 164.86 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 71' ' ' TYR . 3.2 tt -114.22 159.01 20.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.768 ' N ' HD23 ' A' ' 70' ' ' LEU . 15.1 m-85 -138.84 103.68 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.784 ' O ' HD12 ' A' ' 60' ' ' LEU . 16.2 ptt180 -114.34 179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.16 122.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 60' ' ' LEU . 3.5 tmtm? -64.03 116.46 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' N ' ' HD3' ' A' ' 74' ' ' LYS . 4.9 m-20 61.67 117.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -115.58 -81.61 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.65 154.74 12.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 103.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.74 153.67 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -151.09 101.56 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -57.35 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.48 115.58 3.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -54.38 -43.72 71.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.13 -88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 127.99 178.96 15.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 78.63 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.23 -148.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 108.71 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.01 162.08 0.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -61.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 14' ' ' GLU . 4.4 p -44.26 -52.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.06 -56.61 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 50' ' ' ALA . 31.9 mt -49.28 -58.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 34.7 mt-10 -51.1 -59.7 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.54 -50.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -50.28 17.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' LEU . 19.6 mt -57.57 -42.11 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.017 HD11 HD22 ' A' ' 54' ' ' LEU . 13.2 mm -56.94 -49.96 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.26 -35.05 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -75.42 -57.16 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' A' ' 60' ' ' LEU . 61.3 m -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' LEU . 6.9 m-70 -79.53 -45.33 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.1 mm100 -62.35 -30.04 70.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 22' ' ' LEU . 42.2 m-85 -123.98 103.65 33.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.24 10.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -70.31 -41.52 73.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.618 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.632 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 138.41 171.78 12.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 17.0 pt -134.15 163.07 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 33' ' ' GLN . 70.6 p -117.56 148.19 42.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 34.6 t70 -40.45 -29.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mt-30 -61.25 -60.22 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' GLN . 63.1 t -43.41 -70.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG23 ' CE ' ' A' ' 39' ' ' MET . 6.9 mt -39.82 -33.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -66.21 -65.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.22 -35.29 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.1 mm-40 -70.36 -43.61 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.692 ' CE ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -131.83 69.04 81.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -75.01 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -94.55 6.47 48.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.7 mm -97.29 166.31 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 42' ' ' ILE . 1.2 mm-40 -100.01 159.18 15.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.62 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.28 -43.18 78.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -60.37 -42.14 95.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HD3' HG22 ' A' ' 35' ' ' ILE . 11.2 mtm-85 -61.01 -45.81 93.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.09 -56.09 13.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -40.82 -66.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.19 -47.61 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mt -57.65 -63.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -44.97 -43.14 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 20' ' ' ILE . 48.6 mt -50.64 -41.58 55.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD22 ' HB2' ' A' ' 62' ' ' LEU . 93.8 mt -55.2 -63.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.87 -56.39 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.47 -43.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.4 15.48 21.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -93.86 -34.49 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' A' ' 71' ' ' TYR . 47.2 tp -107.01 151.2 25.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.598 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -121.73 122.3 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -86.98 129.96 34.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.39 105.78 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -78.0 109.17 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 -179.71 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -52.18 139.92 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 m 63.38 96.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.56 -166.3 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.8 165.25 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.2 tt -120.86 148.5 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.772 ' HB3' HD11 ' A' ' 60' ' ' LEU . 21.7 m-85 -128.82 125.34 37.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -134.76 178.0 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.08 129.74 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -65.26 153.48 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -173.19 -57.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 85.3 p -111.63 91.36 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.25 155.2 23.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 147.39 33.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -129.2 -60.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 t -122.34 167.96 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 65.24 109.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -93.82 -59.33 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 109.81 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -80.38 123.88 28.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 160.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.88 -85.33 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 68.15 113.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 69.6 106.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.07 160.18 0.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -60.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.3 p -43.56 -58.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.33 -54.16 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.523 HG22 ' CB ' ' A' ' 50' ' ' ALA . 62.9 mt -49.01 -55.81 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.9 mt-10 -54.65 -60.8 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 6.2 m-80 -40.35 -47.59 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -49.7 61.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG21 HD22 ' A' ' 60' ' ' LEU . 47.5 mt -55.64 -41.33 64.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU . 11.3 mm -57.95 -56.08 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.32 -35.1 36.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -76.37 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 67.4 m -45.68 -30.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -78.55 -43.19 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.3 mm-40 -61.81 -30.42 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 22' ' ' LEU . 62.4 m-85 -122.0 105.85 37.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -20.4 17.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -81.91 -36.04 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.52 177.14 14.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 19.4 pt -133.9 150.07 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 33' ' ' GLN . 72.7 p -104.5 148.2 26.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.21 -29.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 5.5 mm-40 -63.66 -56.0 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ASN . 45.5 t -45.64 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.514 HG22 ' HD3' ' A' ' 47' ' ' ARG . 15.4 mt -40.97 -33.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.8 tt0 -61.22 -50.0 74.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.88 -12.87 61.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.62 -46.23 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.3 mtm -141.14 70.78 28.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.08 9.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -92.67 -18.0 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.652 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 43' ' ' GLU . 4.4 mm -69.5 161.61 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -93.6 152.55 18.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.73 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -70.62 -49.18 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.92 -42.67 94.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' O ' HD12 ' A' ' 51' ' ' ILE . 11.8 mtm-85 -63.89 -41.15 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.64 -49.88 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' CD ' ' A' ' 53' ' ' ARG . 2.7 t -43.8 -63.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.84 -49.54 19.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 47' ' ' ARG . 27.1 mt -56.08 -63.27 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.21 -50.82 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -51.6 -60.06 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 16' ' ' GLU . 32.1 mt -56.14 -45.47 79.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 62' ' ' LEU . 66.6 mt -48.89 -43.25 38.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' GLY . 47.0 t -79.14 -59.98 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.499 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.26 -29.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 91.62 20.3 37.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -95.59 -27.49 15.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 30.0 tp -117.53 146.51 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.665 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.05 126.77 52.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -89.31 143.88 26.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.14 107.57 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -78.99 106.76 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t -107.63 175.0 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -44.97 -53.47 7.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' THR . 15.0 t -94.89 116.42 28.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.608 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 42.23 -153.47 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.3 OUTLIER -111.01 165.09 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -127.79 149.83 50.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.4 m-85 -128.6 122.24 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.705 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -131.82 179.01 6.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.59 128.51 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 127.2 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.87 134.97 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.58 104.85 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.24 -87.38 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 74.1 4.11 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.54 167.15 12.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 p -132.41 153.86 50.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.72 161.38 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.002 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -138.25 148.18 44.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.33 152.71 29.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.15 95.16 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -101.82 169.18 8.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 73.1 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -34.16 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 16.8 t70 -162.14 114.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 69.94 106.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.42 159.2 0.15 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.9 p -41.25 -56.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -45.01 -56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -48.93 -50.53 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 3.0 mt-10 -56.57 -65.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.3 m-80 -38.33 -46.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -50.28 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 21.5 mt -56.73 -42.59 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 54' ' ' LEU . 15.8 mm -53.31 -54.95 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.14 -33.51 40.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -78.16 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.838 ' SG ' HD13 ' A' ' 60' ' ' LEU . 69.3 m -44.46 -28.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.4 m-70 -82.5 -45.04 15.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -58.82 -27.76 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.1 m-85 -122.04 106.51 36.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.2 13.16 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.35 -39.78 27.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.721 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.16 172.51 12.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG13 HD11 ' A' ' 35' ' ' ILE . 3.1 pt -129.54 154.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 34' ' ' VAL . 69.3 p -108.83 151.76 25.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.28 -28.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -53.34 19.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG23 ' OG1' ' A' ' 31' ' ' THR . 83.1 t -50.97 -63.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 30' ' ' ILE . 47.2 mt -45.75 -37.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 8.5 tt0 -58.53 -50.42 73.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.23 -16.1 59.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 22' ' ' LEU . 20.0 mm-40 -93.2 -41.32 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.441 ' CB ' HG13 ' A' ' 42' ' ' ILE . 19.5 mtm -144.81 70.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 18.5 Cg_endo -74.96 0.01 9.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.79 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -91.88 -27.75 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.615 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -55.14 156.04 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.2 mt-10 -83.66 160.73 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.49 93.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 mt-30 -76.81 -42.67 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 11.2 mm100 -60.75 -41.39 95.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 1.5 mtm105 -63.96 -46.51 84.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.79 -49.91 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.1 t -40.63 -68.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -44.38 -50.8 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.3 mt -54.02 -62.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.75 -53.46 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -60.19 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 20' ' ' ILE . 13.6 mt -54.99 -48.18 73.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 62' ' ' LEU . 63.4 mt -45.71 -40.39 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -82.76 -61.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.5 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.97 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.25 24.21 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -100.14 -25.83 14.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 0.798 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.838 HD13 ' SG ' ' A' ' 23' ' ' CYS . 39.9 tp -119.0 149.09 42.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -120.2 126.5 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -88.46 125.78 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -127.07 105.86 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HE ' HD13 ' A' ' 69' ' ' LEU . 47.0 mtt180 -81.52 107.68 14.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -143.69 142.23 30.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.3 t-20 43.83 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 m -63.76 112.58 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.79 155.39 31.52 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.564 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -87.34 164.45 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.8 OUTLIER -126.29 148.93 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.789 ' HB3' HD11 ' A' ' 60' ' ' LEU . 13.6 m-85 -127.67 122.69 33.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.68 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.1 ptt180 -127.94 178.02 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.33 125.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -63.31 141.36 58.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -158.08 -57.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -69.97 87.58 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 154.91 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.9 t -68.19 94.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -59.51 -60.57 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.941 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -107.72 165.27 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.12 101.84 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.93 117.38 6.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -147.41 134.62 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 96.35 6.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 -85.52 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.18 6.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.28 105.02 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . 56.75 103.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -41.49 161.38 0.14 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -41.75 -56.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.2 mt-10 -44.55 -57.93 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG12 HD12 ' A' ' 42' ' ' ILE . 48.9 mt -48.36 -44.45 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 19' ' ' ILE . 3.7 mt-10 -62.83 -65.69 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.1 m-80 -38.65 -48.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 16' ' ' GLU . 10.3 mt -61.21 -42.36 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 54' ' ' LEU . 16.7 mm -55.77 -55.35 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.7 -33.45 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -76.24 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 60' ' ' LEU . 78.2 m -48.36 -27.88 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 108.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -80.41 -40.76 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 19.5 mm-40 -63.2 -31.6 72.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.2 m-85 -119.35 105.95 43.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.93 21.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.43 -36.22 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.735 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 135.14 173.68 13.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 35' ' ' ILE . 22.4 pt -132.72 154.71 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 33' ' ' GLN . 58.1 p -108.43 145.81 34.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 54.1 tt0 -62.8 -53.27 56.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' THR . 89.3 t -47.92 -67.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 30' ' ' ILE . 9.2 mt -46.71 -25.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.9 tt0 -70.71 -51.59 26.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -17.31 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' HD21 ' A' ' 22' ' ' LEU . 78.4 mm-40 -89.07 -51.54 5.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.447 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -131.7 69.21 81.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.51 18.13 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -83.91 -8.54 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.5 mm -75.97 167.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -98.06 165.68 11.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.43 67.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.4 mt-30 -70.73 -31.85 68.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.83 -58.52 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -48.13 -43.1 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.77 18.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.28 -67.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.93 -48.51 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.2 mt -55.97 -62.66 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.12 -54.04 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -61.08 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.883 HD13 HD11 ' A' ' 20' ' ' ILE . 21.7 mt -54.25 -48.8 70.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 62' ' ' LEU . 69.3 mt -45.72 -47.72 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -58.95 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.43 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.21 -38.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.5 19.94 18.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -96.85 -27.71 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.78 HD13 ' SG ' ' A' ' 23' ' ' CYS . 33.8 tp -112.8 148.82 34.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.689 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -118.89 121.13 39.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -87.98 124.36 33.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.555 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -124.96 105.66 9.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -76.74 117.08 18.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.8 t -131.86 177.14 7.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.7 m120 -49.61 162.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m 67.36 -72.41 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -149.8 -173.42 20.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.673 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -80.43 164.65 22.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -130.3 159.78 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.779 ' HB3' HD11 ' A' ' 60' ' ' LEU . 6.8 m-85 -134.45 119.06 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.4 ptt180 -125.19 174.99 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.76 124.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.94 122.95 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -172.31 103.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.3 p -106.25 89.1 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.47 155.17 24.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.8 6.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 103.14 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 p -138.83 -58.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -106.34 142.28 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -152.31 137.49 17.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.58 87.21 0.98 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -100.45 77.97 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -178.19 125.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.962 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.99 -155.24 30.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -74.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -166.6 87.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.88 97.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.29 155.9 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.1 p -39.67 -53.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-10 -50.46 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.622 HG22 ' CB ' ' A' ' 50' ' ' ALA . 57.7 mt -47.46 -52.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 54' ' ' LEU . 25.4 mt-10 -55.99 -59.82 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.4 m-80 -39.88 -42.18 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.24 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 54' ' ' LEU . 2.8 mt -54.89 -40.01 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.042 HD11 HD22 ' A' ' 54' ' ' LEU . 7.9 mm -56.67 -53.75 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -36.82 61.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.08 -56.09 5.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.6 m -47.07 -28.39 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.266 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.1 m-70 -78.42 -42.97 28.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' LEU . 12.7 mm-40 -61.6 -34.62 75.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CE1' HD23 ' A' ' 22' ' ' LEU . 55.8 m-85 -116.39 104.89 51.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.67 20.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -86.72 -40.17 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.789 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 139.73 175.73 14.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' TYR . 26.6 pt -132.96 163.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -120.87 153.09 37.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -42.02 -41.54 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 37.2 tt0 -52.56 -58.41 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.6 t -43.88 -69.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.8 mt -43.93 -30.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.9 tt0 -66.78 -50.43 62.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -70.55 -17.4 62.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -89.21 -41.6 12.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.435 ' CB ' HG13 ' A' ' 42' ' ' ILE . 8.4 mtm -144.62 71.07 15.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.43 8.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -92.83 -21.34 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CB ' ' A' ' 39' ' ' MET . 2.9 mm -66.88 141.03 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.89 156.0 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.86 -38.84 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -75.96 -45.12 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.85 -36.08 76.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.712 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -69.84 -43.01 72.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.37 -44.12 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.6 t -47.06 -67.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.66 -47.46 14.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 47' ' ' ARG . 37.2 mt -56.46 -62.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.79 -51.38 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -57.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 20' ' ' ILE . 32.4 mt -55.49 -45.27 77.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 62' ' ' LEU . 98.0 mt -53.59 -45.52 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -72.91 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.12 -35.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.26 21.96 23.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -98.13 -25.95 14.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD13 ' SG ' ' A' ' 23' ' ' CYS . 37.1 tp -113.88 145.69 41.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -116.37 125.44 52.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 63' ' ' LEU . 1.3 tt -87.0 140.2 29.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -138.99 105.73 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -76.29 126.93 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -125.39 -80.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.72 163.87 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' THR . 3.4 m 43.9 29.47 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.659 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 133.34 -175.88 19.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -109.96 165.42 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD21 ' HA3' ' A' ' 29' ' ' GLY . 1.4 tt -120.9 160.08 24.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.767 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.0 m-85 -139.11 127.15 22.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.713 ' O ' HD12 ' A' ' 60' ' ' LEU . 10.2 ptt180 -134.16 178.09 7.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.3 128.95 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -64.0 140.47 58.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -176.61 142.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.31 82.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.03 155.37 16.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.82 34.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -121.37 118.07 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.2 m -81.48 84.1 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.18 164.11 13.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -161.84 121.68 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.06 -123.18 7.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.06 153.93 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -146.93 -56.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 97.01 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 69.95 5.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -145.39 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . 73.95 110.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.31 158.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -43.63 -58.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -41.39 -58.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG12 ' CD1' ' A' ' 42' ' ' ILE . 47.2 mt -45.83 -57.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.8 mt-10 -50.73 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.9 m-80 -39.88 -42.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -48.87 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 52.9 mt -56.54 -38.97 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 54' ' ' LEU . 9.5 mm -57.55 -54.48 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -52.27 -36.23 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -75.07 -59.12 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 60' ' ' LEU . 77.7 m -46.18 -32.32 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.11 -40.99 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.2 mm-40 -61.88 -39.53 92.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 22' ' ' LEU . 48.5 m-85 -109.52 101.3 45.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -3.11 13.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -103.74 -20.99 13.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.562 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 119.17 172.38 15.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 26' ' ' PHE . 7.2 pt -130.72 149.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 62.9 p -100.91 143.97 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.58 -30.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 4.1 mt-30 -64.48 -51.68 61.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' THR . 25.4 t -50.24 -67.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 47' ' ' ARG . 14.5 mt -44.23 -27.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.4 tt0 -67.67 -52.57 36.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.49 -22.05 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' A' ' 22' ' ' LEU . 28.3 mm-40 -83.64 -41.34 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.413 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 25.3 mtm -144.29 70.33 16.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -89.33 -23.45 22.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 3.2 mm -62.26 150.56 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -83.28 161.17 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -80.67 -41.35 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 14.9 mm100 -60.6 -40.8 93.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -66.44 -51.1 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.48 81.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.5 t -45.71 -66.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -46.03 -50.2 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.8 mt -53.68 -62.86 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.78 -51.31 22.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -57.32 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 16' ' ' GLU . 15.4 mt -59.05 -47.05 86.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -47.48 -41.36 20.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.6 t -81.8 -59.79 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -41.31 -27.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' HA2' ' CE ' ' A' ' 74' ' ' LYS . . . 89.11 22.43 38.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -97.36 -24.38 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 23' ' ' CYS . 43.4 tp -119.55 150.32 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -126.52 123.31 37.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.6 tt -86.91 143.7 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.86 105.89 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' HD22 ' A' ' 69' ' ' LEU . 11.1 ttp180 -77.82 113.04 15.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -115.62 -70.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 178.74 166.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 t 39.32 42.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.63 148.45 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.759 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -74.82 165.3 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 28' ' ' HIS . 2.0 tt -118.48 146.87 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.746 ' HB3' HD11 ' A' ' 60' ' ' LEU . 9.6 m-85 -130.36 118.66 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.696 ' O ' HD12 ' A' ' 60' ' ' LEU . 13.4 ptt180 -125.36 179.23 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -72.24 125.09 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 8.4 tttt -63.88 147.14 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 56.52 103.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.94 101.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.47 155.15 29.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.533 1.807 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 m -139.9 108.65 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.0 p -175.68 160.72 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -125.6 93.29 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -41.55 132.76 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.57 148.75 3.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.41 78.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -139.17 99.51 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.74 68.81 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.96 5.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.1 114.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -121.41 8.0 10.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.6 OUTLIER 59.46 152.61 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -65.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.9 -57.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.117 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.552 ' H ' HG13 ' A' ' 13' ' ' VAL . 3.1 mm-40 -43.02 -55.01 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 42' ' ' ILE . 25.4 mt -54.23 -50.82 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' OE1' ' CE ' ' A' ' 57' ' ' MET . 2.8 mt-10 -56.68 -67.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 HD22 HG22 ' A' ' 13' ' ' VAL . 3.6 m-20 -38.72 -41.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -52.41 64.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 HD12 ' A' ' 54' ' ' LEU . 6.8 mt -55.48 -42.25 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -54.04 -61.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -46.7 -33.05 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -78.2 -58.02 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.751 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.6 m -48.02 -34.41 9.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.35 -40.32 44.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.3 -33.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' CE1' HD23 ' A' ' 22' ' ' LEU . 68.0 m-85 -120.57 105.93 40.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.54 9.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -71.01 -39.14 72.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.88 177.16 14.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 29.3 pt -139.92 137.33 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 0.801 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 33' ' ' GLN . 65.7 p -95.66 147.99 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.89 -29.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -63.06 -55.5 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.92 -67.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 mt -45.63 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 5.6 tt0 -69.23 -51.79 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.43 -14.52 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.532 ' HG3' HD21 ' A' ' 22' ' ' LEU . 81.3 mm-40 -91.6 -56.22 3.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.5 68.97 82.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -81.87 -7.54 59.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 15' ' ' ILE . 3.7 mm -78.41 149.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 1.8 mt-10 -79.15 158.37 27.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.97 87.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.8 mt-30 -73.07 -44.55 60.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.1 mm100 -58.1 -39.98 79.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.32 -44.92 93.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.17 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.4 t -46.76 -69.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.39 -49.07 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 47' ' ' ARG . 28.5 mt -53.1 -62.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.52 -53.39 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -57.63 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 19' ' ' ILE . 23.2 mt -56.94 -51.49 68.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 62' ' ' LEU . 85.4 mt -43.53 -49.97 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLY . 19.7 t -74.35 -60.62 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.22 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.31 18.69 48.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -93.14 -32.43 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 0.808 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' SG ' ' A' ' 23' ' ' CYS . 40.9 tp -109.12 149.08 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.57 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.61 122.48 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 69' ' ' LEU . 1.7 tt -86.62 144.93 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.62 105.59 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -77.41 111.99 13.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.3 t -110.62 -84.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -166.73 157.41 12.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.3 p 45.9 38.01 4.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.51 158.84 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -86.87 165.05 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.3 tt -120.52 148.39 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -128.06 126.63 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -136.42 177.12 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 129.86 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.85 137.39 56.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -156.5 169.47 24.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -118.01 119.47 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.45 155.39 48.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -112.25 103.44 11.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 t -48.38 139.95 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -160.36 105.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -73.96 146.86 43.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.91 128.08 11.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.55 170.2 16.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.03 115.92 28.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.39 -85.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.64 5.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.83 110.23 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.56 105.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.39 156.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 14' ' ' GLU . 3.2 p -40.15 -53.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -48.99 -56.86 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 42' ' ' ILE . 58.2 mt -49.16 -48.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 54' ' ' LEU . 31.3 mt-10 -59.8 -58.14 9.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -41.78 -39.41 1.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -55.57 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CG2' HD13 ' A' ' 54' ' ' LEU . 18.1 mt -49.06 -40.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.037 HD11 HD22 ' A' ' 54' ' ' LEU . 14.4 mm -56.62 -61.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.52 -34.27 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -74.44 -55.57 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' ' 60' ' ' LEU . 86.3 m -45.34 -31.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -74.72 -44.29 50.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 7.3 mm100 -61.6 -27.2 68.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' HD23 ' A' ' 22' ' ' LEU . 77.3 m-85 -120.11 107.67 39.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' HD21 ' A' ' 70' ' ' LEU . 29.5 m170 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.82 178.41 16.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 HG13 HD11 ' A' ' 35' ' ' ILE . 30.5 pt -131.69 146.29 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' VAL . 39.7 p -102.08 145.98 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.6 t70 -39.94 -34.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 11.5 tt0 -59.94 -53.27 59.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' THR . 53.7 t -50.0 -68.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 30' ' ' ILE . 5.2 mt -43.55 -27.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 6.8 tt0 -66.97 -50.33 62.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -18.79 61.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -86.1 -42.99 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.2 mtm -140.7 67.93 29.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -89.49 -12.02 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 15' ' ' ILE . 8.2 mm -76.47 146.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 11.8 mt-10 -74.21 165.41 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.73 99.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mt-30 -76.41 -37.99 56.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 16.5 mm100 -62.52 -46.12 89.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -59.49 -46.48 88.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.24 -51.0 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.8 t -42.53 -65.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -45.76 -48.89 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 47' ' ' ARG . 22.9 mt -56.91 -63.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -45.39 -52.1 10.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -58.63 4.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.037 HD22 HD11 ' A' ' 20' ' ' ILE . 41.9 mt -54.59 -49.31 70.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 62' ' ' LEU . 94.4 mt -47.42 -50.21 23.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 4.5 t -71.71 -59.95 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.5 -33.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.59 20.21 38.35 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -99.04 -17.08 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.2 tp -123.23 146.75 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -118.29 121.57 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -88.5 132.55 34.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -128.46 105.75 8.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -76.31 106.68 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.38 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -48.14 141.58 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m 63.5 94.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.54 -170.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -96.97 165.96 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -121.66 152.69 39.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.777 ' HB3' HD11 ' A' ' 60' ' ' LEU . 10.1 m-85 -133.05 117.38 17.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.35 178.12 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.03 128.01 33.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.11 138.09 58.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.99 166.69 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -129.83 -62.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.18 155.34 1.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 76.5 3.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.544 1.813 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.6 m -112.98 140.79 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.4 m -101.08 103.7 14.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -74.15 129.71 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -101.3 -60.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.05 -176.99 7.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 145.6 28.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -170.5 165.26 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -81.1 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 18.2 Cg_endo -74.99 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -170.78 54.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' HE22 ' A' ' 46' ' ' GLN . . . -116.49 2.29 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 t0 60.7 148.01 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -40.53 -53.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' H ' HG13 ' A' ' 13' ' ' VAL . 16.8 mt-10 -49.64 -52.5 30.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' A' ' 50' ' ' ALA . 20.5 mt -58.99 -58.37 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.4 mt-10 -51.04 -61.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -40.25 -56.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -42.66 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HG22 ' SG ' ' A' ' 23' ' ' CYS . 63.9 mt -67.11 -42.68 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.082 HD11 HD22 ' A' ' 54' ' ' LEU . 12.0 mm -53.85 -45.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -31.65 72.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -77.03 -48.86 16.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.695 ' SG ' HD13 ' A' ' 60' ' ' LEU . 74.3 m -49.66 -46.03 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -66.46 -43.79 84.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -55.42 -36.47 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' HE2' HD23 ' A' ' 22' ' ' LEU . 98.4 m-85 -116.56 104.7 51.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.1 19.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 70' ' ' LEU . 42.1 m170 -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.573 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.36 167.05 12.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 35' ' ' ILE . 15.4 pt -127.78 136.39 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -94.42 150.65 20.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -42.49 -35.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -54.51 41.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.4 t -47.73 -69.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 HG13 ' A' ' 30' ' ' ILE . 16.4 mt -41.97 -35.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.91 -49.53 77.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.46 -10.01 59.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.664 ' HG3' HD21 ' A' ' 22' ' ' LEU . 75.5 mm-40 -95.43 -38.07 10.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 33.5 mtm -146.88 70.31 12.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -89.75 -27.39 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.557 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 43' ' ' GLU . 2.9 mm -59.71 162.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -99.85 159.9 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.22 -67.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 49' ' ' VAL . 30.0 mt-30 -48.21 -37.27 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' HB2' ' A' ' 8' ' ' PRO . 39.0 mt-30 -65.24 -53.33 45.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -60.05 -43.46 95.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.02 -57.33 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 45' ' ' GLN . 3.0 t -42.06 -66.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.62 -46.88 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.9 mt -57.33 -62.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.3 -56.0 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -45.42 -58.42 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.082 HD22 HD11 ' A' ' 20' ' ' ILE . 34.1 mt -53.61 -48.85 68.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 62' ' ' LEU . 95.0 mt -49.56 -53.85 21.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.4 t -66.58 -60.82 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.75 -30.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 90.12 14.73 58.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -90.09 -31.6 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 71' ' ' TYR . 44.2 tp -109.02 148.28 31.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.579 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -119.88 121.52 39.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.797 HD21 ' HB3' ' A' ' 69' ' ' LEU . 2.0 tt -86.8 142.05 28.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' N ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -142.82 108.34 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' HG3' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -76.01 106.57 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 p -113.16 57.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' GLY . 73.8 m-20 59.0 157.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m 48.93 -94.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 66' ' ' ASN . . . -92.62 164.19 27.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.797 ' HB3' HD21 ' A' ' 62' ' ' LEU . 1.8 mt -94.82 165.23 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 28' ' ' HIS . 3.0 tt -119.52 147.18 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.737 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.0 m-85 -129.76 112.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -124.57 176.8 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.0 127.65 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -65.35 120.22 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' O ' ' NH2' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -173.26 123.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.57 121.32 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.56 155.18 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.82 21.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.48 1.779 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -86.75 157.58 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.04 110.5 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -172.71 162.05 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -133.72 -57.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.12 63.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -100.1 145.01 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -50.69 117.88 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.6 -85.25 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 62.17 5.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -145.88 109.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.54 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.43 150.16 0.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -60.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.0 p -39.39 -53.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -51.39 -56.98 10.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 HD12 ' A' ' 42' ' ' ILE . 47.2 mt -51.59 -50.5 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.821 ' HB3' HD21 ' A' ' 54' ' ' LEU . 29.5 mt-10 -57.75 -64.2 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -42.0 -45.45 3.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -54.28 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.652 HG22 ' SG ' ' A' ' 23' ' ' CYS . 66.0 mt -55.49 -51.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 54' ' ' LEU . 1.4 mp -45.07 -45.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -69.28 -55.37 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.675 ' SG ' HD13 ' A' ' 60' ' ' LEU . 80.4 m -46.87 -29.8 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 108.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -73.28 -42.95 61.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 4.1 mm-40 -63.57 -41.15 98.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 22' ' ' LEU . 38.9 m-85 -109.55 104.7 55.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.72 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -86.55 -33.64 20.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 132.53 177.67 15.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' ILE . 31.4 pt -136.31 159.84 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' VAL . 67.4 p -111.2 144.62 40.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.09 -31.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 31' ' ' THR . 3.7 mt-30 -60.14 -51.6 68.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 77.3 t -50.82 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 30' ' ' ILE . 6.6 mt -47.02 -25.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 40' ' ' PRO . 5.4 tt0 -70.21 -52.88 19.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.4 -21.91 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -85.28 -52.0 6.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.84 69.13 79.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 18.3 Cg_endo -74.99 -15.63 20.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.5 -3.77 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 15' ' ' ILE . 14.9 mm -78.41 152.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.05 166.62 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.21 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.617 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.0 mt-30 -69.54 -34.61 74.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -65.31 -56.47 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.66 50.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.64 -53.23 14.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 45' ' ' GLN . 2.7 t -40.47 -68.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.16 -48.37 12.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.58 -63.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' HA ' HD12 ' A' ' 55' ' ' LEU . 7.2 t-20 -46.32 -49.48 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CD ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -53.92 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.25 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 16' ' ' GLU . 93.7 mt -50.18 -43.46 52.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 62' ' ' LEU . 75.1 mt -52.04 -58.49 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -65.49 -56.93 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -37.22 -33.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 94.51 14.3 50.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.573 1.17 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -91.19 -37.04 13.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 71' ' ' TYR . 28.8 tp -108.62 152.61 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.788 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -122.23 131.23 53.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -92.97 140.54 29.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -140.45 105.86 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' CG ' HD22 ' A' ' 69' ' ' LEU . 1.1 ttm180 -75.59 106.92 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -94.22 169.5 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.15 -67.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 m -55.4 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.648 ' C ' HD23 ' A' ' 69' ' ' LEU . . . -116.24 -139.16 6.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.648 HD23 ' C ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -111.16 164.93 12.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -133.84 153.58 51.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.796 ' HB3' HD11 ' A' ' 60' ' ' LEU . 12.7 m-85 -131.11 120.69 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.653 ' O ' HD12 ' A' ' 60' ' ' LEU . 11.9 ptt180 -129.46 177.28 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -72.25 127.7 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.44 126.52 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -161.38 134.28 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 165.61 21.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.86 -87.54 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -97.31 137.14 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.99 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 60.78 118.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -54.47 97.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 96.76 2.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -174.92 164.37 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -48.92 107.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -142.34 8.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.14 4.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -177.62 124.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' ASP . . . -91.29 18.1 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 13' ' ' VAL . 3.6 t0 60.77 148.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 11' ' ' ASP . 2.7 p -40.35 -52.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.1 mm-40 -52.4 -62.31 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 50' ' ' ALA . 36.0 mt -43.41 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.961 ' HB3' HD21 ' A' ' 54' ' ' LEU . 1.4 mt-10 -48.11 -60.51 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.9 m-80 -40.37 -57.13 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -43.1 -51.54 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.495 HG22 ' SG ' ' A' ' 23' ' ' CYS . 46.9 mt -56.74 -46.46 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 mm -51.13 -59.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -36.68 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.07 -54.78 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.798 ' SG ' HD13 ' A' ' 60' ' ' LEU . 60.6 m -49.77 -29.83 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -78.37 -43.75 26.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -62.43 -33.91 75.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 22' ' ' LEU . 67.4 m-85 -119.61 106.55 41.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.26 9.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -72.4 -36.74 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 131.59 170.8 12.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' LEU . 23.8 pt -126.43 171.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.6 p -129.77 150.69 50.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -40.24 -35.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 3.8 mt-30 -60.01 -54.54 44.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.41 -65.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.1 mt -47.74 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 2.1 tt0 -72.45 -53.8 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -25.44 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -83.39 -47.51 11.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -135.31 70.27 68.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.96 18.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -81.01 -17.45 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 43' ' ' GLU . 3.1 mm -70.4 162.79 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 mt-10 -95.11 166.59 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.87 -56.15 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 1.05 ' OE1' HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -64.61 -49.94 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -51.0 -33.56 25.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 51' ' ' ILE . 20.6 mtm-85 -75.18 -33.32 61.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.7 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.05 HG23 ' OE1' ' A' ' 45' ' ' GLN . 2.4 t -39.96 -67.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -46.1 -50.09 15.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 47' ' ' ARG . 31.3 mt -53.93 -61.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.94 -52.72 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' CB ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -49.24 -58.28 5.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 16' ' ' GLU . 91.1 mt -55.76 -43.72 76.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 62' ' ' LEU . 76.7 mt -53.56 -48.89 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 t -72.25 -60.81 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.452 ' CE ' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -38.41 -34.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 20.23 26.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.01 -23.71 16.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.798 HD13 ' SG ' ' A' ' 23' ' ' CYS . 42.1 tp -121.68 147.21 46.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -116.89 124.24 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.675 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.29 122.27 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.35 108.29 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.621 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.0 mtt180 -75.76 106.63 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -115.34 169.01 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.48 117.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m 62.64 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' C ' HD23 ' A' ' 69' ' ' LEU . . . 57.08 177.71 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' A' ' 64' ' ' ARG . 1.5 mt -109.18 165.31 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.764 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 ' HA3' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -123.42 159.13 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.776 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.1 m-85 -136.66 123.54 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.0 ptt180 -129.55 176.43 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.86 126.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -60.85 138.9 58.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -44.95 -58.31 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -93.46 96.92 10.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.99 -87.38 1.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.65 41.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -59.68 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.55 147.96 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.53 85.7 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -159.45 -57.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.65 -158.93 27.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.86 99.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 58.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.75 -147.34 4.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.462 1.77 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.48 117.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.3 105.25 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 161.47 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -60.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 14' ' ' GLU . 3.4 p -44.43 -56.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.515 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -43.72 -56.35 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.75 -55.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB3' HD21 ' A' ' 54' ' ' LEU . 2.8 mt-10 -51.38 -61.43 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -40.15 -47.52 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -51.11 57.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.503 HG21 HD12 ' A' ' 54' ' ' LEU . 18.8 mt -57.25 -44.06 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 ' CD1' HD13 ' A' ' 54' ' ' LEU . 11.3 mm -52.83 -61.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -46.81 -36.96 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -73.42 -56.6 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 60' ' ' LEU . 62.5 m -49.1 -28.31 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -45.35 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.75 -29.34 62.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 22' ' ' LEU . 70.7 m-85 -118.81 107.15 42.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -9.4 20.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HD21 ' A' ' 70' ' ' LEU . 36.7 m-70 -98.15 -38.28 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.648 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 70' ' ' LEU . . . 137.16 -174.49 21.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 35' ' ' ILE . 6.2 pt -141.48 173.04 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.0 p -126.13 148.73 49.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -40.54 -36.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -59.3 -55.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 t -45.85 -67.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HD3' ' A' ' 47' ' ' ARG . 16.1 mt -46.98 -25.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 4.3 tt0 -70.97 -52.2 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.96 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -85.85 -49.45 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -131.86 68.46 80.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -92.77 13.63 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 6.0 mm -99.12 153.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . 2.4 mt-10 -83.2 155.47 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -87.2 -44.42 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 15.3 mm-40 -58.89 -38.97 80.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -64.6 -45.14 88.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.88 -46.14 66.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 50' ' ' ALA . 3.0 t -45.07 -68.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -45.99 -48.32 16.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.4 mt -54.21 -62.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -46.67 -46.68 20.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -60.9 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 16' ' ' GLU . 40.3 mt -53.68 -44.0 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 72.7 mt -50.44 -52.75 35.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' GLY . 2.3 t -71.65 -57.91 3.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -28.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 88.77 19.47 51.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -95.36 -22.51 17.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 71' ' ' TYR . 45.7 tp -118.91 149.77 41.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.597 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -121.19 120.16 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -88.44 120.02 29.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -118.47 106.5 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.612 ' HG2' HD22 ' A' ' 69' ' ' LEU . 22.5 mtt180 -75.69 106.45 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.53 134.99 24.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.31 -154.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -55.02 -90.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 69' ' ' LEU . . . -65.75 -178.77 8.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 64' ' ' ARG . 3.4 mt -98.53 165.14 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 29' ' ' GLY . 3.0 tt -119.85 149.58 41.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.863 ' HB3' HD11 ' A' ' 60' ' ' LEU . 11.3 m-85 -127.2 119.61 26.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 60' ' ' LEU . 12.3 ptt180 -125.79 174.78 8.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 23' ' ' CYS . 0.2 OUTLIER -71.22 125.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -64.2 141.57 58.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -159.15 -51.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.03 97.51 8.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.67 155.27 12.54 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -172.42 113.79 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.9 p -132.06 128.21 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -113.51 143.37 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -43.49 119.97 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.51 165.31 34.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -160.09 120.29 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -135.96 79.53 1.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.03 74.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.6 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.29 111.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -130.85 105.98 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -39.53 150.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 14' ' ' GLU . 2.7 p -39.29 -52.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' HG13 ' A' ' 13' ' ' VAL . 4.6 mm-40 -51.95 -58.77 5.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 42' ' ' ILE . 54.3 mt -48.2 -48.44 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.712 ' HB3' HD21 ' A' ' 54' ' ' LEU . 24.2 mt-10 -57.78 -58.86 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.5 m-80 -40.26 -47.91 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -46.06 39.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.531 HG22 ' SG ' ' A' ' 23' ' ' CYS . 61.3 mt -61.96 -39.95 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.88 HD11 HD22 ' A' ' 54' ' ' LEU . 19.7 mm -57.47 -54.09 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.7 -32.38 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -78.08 -57.1 3.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.759 ' SG ' HD13 ' A' ' 60' ' ' LEU . 63.5 m -43.83 -29.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 22' ' ' LEU . 2.9 m-70 -77.13 -47.3 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' LEU . 6.0 mm-40 -61.11 -36.67 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.818 ' CE1' HD23 ' A' ' 22' ' ' LEU . 40.8 m-85 -115.8 104.44 52.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.78 7.88 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.454 1.766 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -68.12 -40.2 82.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.616 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 70' ' ' LEU . . . 140.71 177.63 16.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' TYR . 43.2 pt -139.98 134.69 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -93.9 152.67 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -40.13 -45.27 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 2.5 tp-100 -46.55 -59.84 2.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -43.47 -71.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 ' HD3' ' A' ' 47' ' ' ARG . 3.7 mt -44.13 -27.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 3.5 tt0 -71.09 -52.98 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.16 -20.96 62.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -85.97 -48.72 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.42 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 1.5 mtp -134.21 69.12 74.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.45 17.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.07 -7.42 41.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.595 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.514 HD12 HG12 ' A' ' 15' ' ' ILE . 14.4 mm -80.11 152.16 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -81.46 165.47 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.76 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.57 -35.38 75.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.58 -53.63 44.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD3' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -52.16 -46.49 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.45 -56.26 9.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' ALA . 2.3 t -40.09 -67.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -45.56 -48.54 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.8 mt -56.54 -62.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.13 -51.97 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -59.08 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.88 HD22 HD11 ' A' ' 20' ' ' ILE . 74.2 mt -52.6 -47.68 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 62' ' ' LEU . 92.8 mt -50.83 -49.75 58.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 5.6 t -69.87 -58.27 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -37.03 -42.43 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.69 21.78 9.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.02 -32.51 10.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 71' ' ' TYR . 41.2 tp -109.08 145.01 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.562 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -115.15 133.1 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -93.03 138.47 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -139.44 105.73 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.67 107.67 13.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.64 141.67 21.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 50.28 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 67' ' ' THR . 10.1 t -54.74 113.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.44 -176.25 41.51 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.73 165.33 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.4 tt -122.55 145.57 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 60' ' ' LEU . 24.5 m-85 -125.64 123.46 39.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.82 177.83 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -70.71 128.81 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -59.61 145.11 45.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 72' ' ' ARG . 46.9 m-20 -49.73 137.51 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 t -97.44 -59.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.9 154.82 21.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.52 137.08 41.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.28 155.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 stop_ save_