data_2coe_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 2coe _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 ' 24' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CB ' HG13 ' A' ' 60' ' ' VAL . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 28' ' ' ILE . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.496 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' CB ' ' A' ' 27' ' ' PHE . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 93' ' ' VAL . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 32' ' ' LYS . 41.9 m-20 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.47 ' CH2' HD21 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.486 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.488 ' CD2' ' SG ' ' A' ' 99' ' ' CYS . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CB ' HG12 ' A' ' 60' ' ' VAL . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 40' ' ' LEU . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ALA . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 27' ' ' PHE . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.456 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CZ2' ' OE1' ' A' ' 80' ' ' GLN . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.472 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.561 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.498 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 95' ' ' TRP . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.44 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.43 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 91' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 38' ' ' ARG . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ALA . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 99' ' ' CYS . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.532 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.579 ' CE1' HD21 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.497 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.581 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 58.8 mm-40 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 85' ' ' SER . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 84' ' ' VAL . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.497 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.455 ' N ' ' C ' ' A' ' 98' ' ' GLU . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' HG23 ' A' ' 28' ' ' ILE . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.538 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.441 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CE1' ' OG1' ' A' ' 61' ' ' THR . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 85' ' ' SER . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 84' ' ' VAL . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' CG ' ' CD1' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG21 ' NE1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.423 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 3.5 mt-30 -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 28' ' ' ILE . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.473 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.452 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.574 ' CE1' HD21 ' A' ' 24' ' ' LEU . 19.8 m80 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' A' ' 77' ' ' LEU . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' CB ' HG21 ' A' ' 73' ' ' VAL . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HB2' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 65' ' ' ALA . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CZ2' ' OE1' ' A' ' 80' ' ' GLN . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.566 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 27.6 mm-40 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.424 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' N ' HG21 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CB ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.56 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 91' ' ' LEU . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 112' ' ' HIS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 106' ' ' VAL . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 91' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 29' ' ' LEU . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 28' ' ' ILE . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.578 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.489 ' CB ' HG13 ' A' ' 52' ' ' VAL . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CE ' HG21 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CE1' HD22 ' A' ' 24' ' ' LEU . 16.7 m80 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.557 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.557 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.572 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.572 ' CE3' HD11 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.446 HG21 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.42 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 91' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.473 ' CB ' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.519 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.62 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CE1' ' OG1' ' A' ' 61' ' ' THR . 9.1 m80 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.507 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.507 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.472 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' OE2' ' CD1' ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.584 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CE3' HD11 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.487 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.486 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.487 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD13 ' CH2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.501 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.621 ' CH2' HD13 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 22.4 mm-40 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' SER . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CA ' HD21 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.481 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 64' ' ' VAL . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.437 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HE3' ' CG2' ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.8 m120 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.511 ' N ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.411 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 24' ' ' LEU . 13.2 m80 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 77' ' ' LEU . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 66' ' ' GLU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.641 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.641 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 27.7 mm-40 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.535 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.439 ' CA ' HD22 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.535 ' CE3' HD13 ' A' ' 91' ' ' LEU . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.429 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 91' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.459 ' CD1' HG12 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.503 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' HD22 ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 57' ' ' SER . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.48 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CE1' HD22 ' A' ' 24' ' ' LEU . 21.6 m80 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 39.6 m-80 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.5 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' A' ' 94' ' ' SER . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.523 ' CD2' HD12 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.521 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG21 ' NE1' ' A' ' 95' ' ' TRP . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.429 ' SD ' ' CD2' ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 59' ' ' SER . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 67' ' ' ASN . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' CD ' HG23 ' A' ' 25' ' ' VAL . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.542 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.409 ' HG1' ' CE1' ' A' ' 62' ' ' HIS . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.556 ' CE1' HD21 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.522 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.437 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 63.8 mm-40 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 85' ' ' SER . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.56 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.469 ' CA ' HD23 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.56 ' CE3' HD13 ' A' ' 91' ' ' LEU . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.431 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 96' ' ' LEU . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.469 HD23 ' CA ' ' A' ' 92' ' ' ASP . 1.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 93' ' ' VAL . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG3' ' CG1' ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HG3' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 24' ' ' LEU . 6.6 m80 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.508 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 85' ' ' SER . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 84' ' ' VAL . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.561 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.508 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.563 ' CE3' HD12 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.457 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.411 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' ALA . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.493 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.555 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HG ' ' CZ3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 42.5 mm-40 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.498 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.581 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.581 ' CE3' HD13 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 112' ' ' HIS . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 91' ' ' LEU . 3.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 60' ' ' VAL . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' HIS . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.522 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 93' ' ' VAL . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.549 ' CD2' ' CD1' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.585 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.445 ' C ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 91' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.472 ' CB ' HG13 ' A' ' 52' ' ' VAL . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' CE1' ' CD1' ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.565 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 87' ' ' GLN . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 92.6 mm-40 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' A' ' 74' ' ' LEU . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' N ' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' CA ' HD23 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.475 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.522 ' O ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.498 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.442 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 108' ' ' MET . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' N ' ' A' ' 91' ' ' LEU . 6.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 38' ' ' ARG . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.467 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.569 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.512 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.484 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CE1' HD21 ' A' ' 24' ' ' LEU . 14.8 m80 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' HD21 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.646 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 48.2 mm-40 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' GLN . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 74' ' ' LEU . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.528 ' CD2' HD11 ' A' ' 91' ' ' LEU . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.487 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.431 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.41 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 91' ' ' LEU . 2.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CB ' HG11 ' A' ' 60' ' ' VAL . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.489 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' CD2' HD13 ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 63' ' ' ILE . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' OE1' ' A' ' 89' ' ' GLU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.571 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 37.7 mm-40 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' CA ' HD12 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.577 ' CZ2' ' HE3' ' A' ' 108' ' ' MET . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 104' ' ' LYS . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.577 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.486 HD12 ' CA ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.467 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.462 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 24' ' ' LEU . 15.7 m80 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.563 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CE3' ' CD1' ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 100' ' ' ILE . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.586 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.523 ' O ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.502 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' N ' HG22 ' A' ' 28' ' ' ILE . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 32' ' ' LYS . 48.1 m-20 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 33.1 mm-40 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.544 ' CG1' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.569 ' CE3' HD11 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' ILE . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.557 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLY . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 91' ' ' LEU . 2.8 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 60' ' ' VAL . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 64' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.486 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.517 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 85' ' ' SER . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.525 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.572 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -174.4 156.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -169.91 162.87 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.77 177.0 38.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -148.17 -59.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 63.39 164.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.72 29.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.5 p -135.54 175.91 9.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.25 151.0 6.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.7 140.27 9.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.64 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.51 170.34 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.04 81.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 t 42.43 75.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 75.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -179.46 58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.41 95.15 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 51' ' ' ARG . 3.5 mt -47.5 121.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.15 -58.9 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 105' ' ' PRO . 23.4 m-85 -109.79 125.63 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -96.86 31.49 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.232 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -167.08 39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -137.95 58.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' CB ' HG13 ' A' ' 60' ' ' VAL . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 28' ' ' ILE . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.496 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' CZ ' HD11 ' A' ' 19' ' ' ILE . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' CB ' ' A' ' 27' ' ' PHE . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 93' ' ' VAL . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 32' ' ' LYS . 41.9 m-20 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.47 ' CH2' HD21 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.488 ' CD2' ' SG ' ' A' ' 99' ' ' CYS . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -80.0 -56.54 4.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 158.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.69 164.67 32.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.71 4.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.37 125.31 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 -58.76 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -156.56 121.12 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -144.01 132.51 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.06 130.95 1.39 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -167.99 149.47 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -143.19 155.87 44.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 140.4 2.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.6 m -153.05 141.04 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.388 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 106.4 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.19 160.03 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.91 60.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.5 86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.52 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.34 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m 73.49 149.1 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.54 5.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.09 55.92 2.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.63 95.87 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 20' ' ' LYS . 3.8 mp -63.37 155.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' HG21 ' A' ' 19' ' ' ILE . 2.2 tttp -74.73 -49.59 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 31.8 m-85 -83.16 -43.52 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 59.43 14.69 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.99 21.65 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -138.27 131.24 29.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CB ' HG12 ' A' ' 60' ' ' VAL . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 40' ' ' LEU . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ALA . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 27' ' ' PHE . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.456 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CZ2' ' OE1' ' A' ' 80' ' ' GLN . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.472 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.561 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.498 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CE3' HD12 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 95' ' ' TRP . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.44 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.43 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 91' ' ' LEU . 1.5 mm? -41.09 -69.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 t 178.69 153.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.051 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -115.16 169.43 12.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.89 28.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -147.57 -60.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m 43.96 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -143.58 153.03 42.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.63 96.7 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.58 66.1 2.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -101.6 170.17 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 109.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.25 142.97 7.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.89 140.87 50.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.46 -122.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.76 107.19 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tt -47.05 -62.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 tpt 51.62 91.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.5 84.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -164.34 85.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -120.45 125.34 27.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.61 57.11 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.32 94.43 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 20' ' ' LYS . 3.3 mp -62.24 156.14 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' HG23 ' A' ' 19' ' ' ILE . 2.1 tttt -92.1 -49.43 6.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -78.84 -50.19 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.38 -53.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.92 39.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.36 62.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 38' ' ' ARG . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ALA . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.404 ' O ' ' CG2' ' A' ' 19' ' ' ILE . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 99' ' ' CYS . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.532 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.579 ' CE1' HD21 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.497 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.581 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 58.8 mm-40 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 85' ' ' SER . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 84' ' ' VAL . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 ' CD2' ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.497 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.553 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.455 ' N ' ' C ' ' A' ' 98' ' ' GLU . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -42.02 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 93.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.9 160.59 24.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.28 39.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 155.39 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -78.04 112.91 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -49.89 159.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 0.792 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -178.65 117.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.04 72.23 0.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.74 154.19 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -77.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 77.98 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.6 m -110.16 115.26 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.1 81.49 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.88 137.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.65 -65.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -169.72 165.31 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.11 88.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -179.3 147.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -114.4 96.38 42.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.09 3.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -117.93 63.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.98 94.86 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 20' ' ' LYS . 41.6 mm -80.05 153.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -53.4 -53.02 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.571 ' CD1' ' HD3' ' A' ' 105' ' ' PRO . 81.4 m-85 -96.13 -43.51 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER 66.21 153.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 50.13 22.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -126.67 52.7 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' HG23 ' A' ' 28' ' ' ILE . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.489 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.441 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CE1' ' OG1' ' A' ' 61' ' ' THR . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 85' ' ' SER . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 84' ' ' VAL . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' CG ' ' CD1' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.571 ' HD3' ' CD1' ' A' ' 21' ' ' PHE . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG21 ' NE1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.423 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 3.5 mt-30 -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -40.85 -64.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.95 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.21 167.69 39.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.02 27.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -107.22 -10.19 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.4 p -140.55 163.84 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m 63.52 149.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -178.71 161.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.99 47.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.95 163.78 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -60.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.28 161.05 37.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 m -147.73 141.38 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.76 140.76 12.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.14 129.87 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.86 101.2 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.37 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.01 -63.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.61 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.63 81.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 66.82 5.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.77 59.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.24 94.56 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 1.8 mt -42.76 137.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -63.32 -57.13 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 16.3 m-85 -83.92 -53.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 3.1 mt-30 82.54 -61.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -88.62 44.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.79 62.49 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 28' ' ' ILE . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.473 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HG3' ' CD1' ' A' ' 19' ' ' ILE . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.574 ' CE1' HD21 ' A' ' 24' ' ' LEU . 19.8 m80 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' HD22 ' A' ' 77' ' ' LEU . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' CB ' HG21 ' A' ' 73' ' ' VAL . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HB2' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 65' ' ' ALA . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.566 ' CZ2' ' OE1' ' A' ' 80' ' ' GLN . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.566 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 27.6 mm-40 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.424 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' N ' HG21 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CB ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.56 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 91' ' ' LEU . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 112' ' ' HIS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 106' ' ' VAL . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 91' ' ' LEU . 1.5 mt -92.74 -64.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.35 178.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.83 -176.16 28.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -56.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 m -133.23 155.47 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.71 156.14 39.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.88 126.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 135.91 8.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -174.55 112.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.65 167.58 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.54 40.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -46.97 173.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.64 154.22 8.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.88 -161.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.27 -59.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.7 161.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.67 98.96 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.22 74.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.05 165.89 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.62 5.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.0 65.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.01 94.49 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -46.48 123.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -90.83 -55.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 27.8 m-85 -90.91 118.6 30.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.52 32.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -171.17 41.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.38 56.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 29' ' ' LEU . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 28' ' ' ILE . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.578 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.489 ' CB ' HG13 ' A' ' 52' ' ' VAL . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CE ' HG21 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CE1' HD22 ' A' ' 24' ' ' LEU . 16.7 m80 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.557 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.557 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.487 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.572 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.572 ' CE3' HD11 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 HG21 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 91' ' ' LEU . 1.6 mm? -40.03 -58.77 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.48 167.72 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.86 -151.57 6.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.4 38.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.3 p -177.65 145.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t 67.0 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.2 99.82 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -175.24 161.94 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.34 108.37 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.32 160.48 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 65.08 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 m -125.0 143.36 50.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.58 146.97 17.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.27 70.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 121.05 37.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.39 120.57 25.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 158.23 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.61 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p -137.94 149.66 64.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 61.5 5.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -122.64 107.2 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 170.45 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.86 132.47 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -47.99 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -91.96 110.31 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -91.71 33.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -173.18 43.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -147.67 63.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.43 HG13 ' CG2' ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.473 ' CB ' HG13 ' A' ' 52' ' ' VAL . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.519 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.62 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CE1' ' OG1' ' A' ' 61' ' ' THR . 9.1 m80 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CD1' ' CD2' ' A' ' 77' ' ' LEU . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.507 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.507 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.519 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.472 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' OE2' ' CD1' ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.584 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CE3' HD11 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -44.16 -64.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 p -175.66 166.8 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.53 -171.64 36.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.23 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -59.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -125.72 161.03 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.04 108.07 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.07 161.38 24.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.31 163.43 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -153.01 146.66 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.14 123.17 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -138.29 149.46 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.22 108.51 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.26 122.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.97 138.17 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.39 -56.07 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -76.69 69.25 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t 41.14 80.71 0.27 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.9 60.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.69 93.76 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 3.9 mt -45.54 126.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -61.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 2.6 m-85 -85.64 -51.48 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 76.48 -54.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.48 37.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -139.45 62.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.487 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.486 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.487 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD13 ' CH2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.501 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.621 ' CH2' HD13 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 22.4 mm-40 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' SER . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CA ' HD21 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.492 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.549 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.481 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -52.99 -66.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 60.07 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -123.51 -177.47 15.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 38.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -100.65 116.51 32.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 t -141.8 106.89 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.25 163.72 30.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -166.73 166.01 16.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.36 122.43 2.3 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.23 103.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 133.26 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.88 133.77 3.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -129.4 126.79 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.96 -93.77 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.75 67.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 46.03 60.67 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.8 ptm -177.14 154.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 -59.18 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 p -162.22 95.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -168.72 81.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.34 52.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.66 95.22 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -49.98 135.9 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -53.2 -56.1 19.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 4.5 m-85 -113.41 121.97 45.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -92.51 25.21 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -163.31 37.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -134.6 58.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 64' ' ' VAL . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.437 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HE3' ' CG2' ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.8 m120 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.511 ' N ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.411 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 24' ' ' LEU . 13.2 m80 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 77' ' ' LEU . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 66' ' ' GLU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.641 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.641 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 27.7 mm-40 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.535 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.439 ' CA ' HD22 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.535 ' CE3' HD13 ' A' ' 91' ' ' LEU . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.429 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 91' ' ' LEU . 1.3 mt -73.99 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 173.72 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.5 -156.03 10.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -109.77 158.44 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 p -79.72 -58.51 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.13 82.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.35 157.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.14 101.39 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.8 113.85 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.48 82.42 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 107.15 3.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -125.63 157.01 38.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.4 74.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.36 42.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -110.93 124.98 53.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -60.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -90.59 124.44 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.7 147.71 16.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ILE . 1.2 pt20 -169.62 164.41 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.27 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 ' CD1' ' NE ' ' A' ' 51' ' ' ARG . 4.3 mt -56.9 124.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -61.62 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 4.9 m-85 -99.43 127.96 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASP . 41.3 mt-30 -80.91 151.66 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' GLN . 57.5 m-20 39.99 57.82 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.26 55.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' CD1' HG12 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.503 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' HD22 ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' NE ' ' CD1' ' A' ' 19' ' ' ILE . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 57' ' ' SER . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.48 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CE1' HD22 ' A' ' 24' ' ' LEU . 21.6 m80 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 39.6 m-80 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.5 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' A' ' 94' ' ' SER . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.523 ' CD2' HD12 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.521 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.532 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.574 ' HD3' ' CD2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG21 ' NE1' ' A' ' 95' ' ' TRP . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.429 ' SD ' ' CD2' ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 1.5 mm? -40.67 -66.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.2 p 55.66 178.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.5 47.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.45 36.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.1 p -156.07 114.61 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.24 114.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -147.71 83.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 m -119.65 134.07 55.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.42 121.89 1.36 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.82 161.12 40.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -178.09 144.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.41 118.33 0.47 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.83 147.78 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 61.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.46 171.37 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.18 71.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.39 163.22 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 170.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.52 88.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.45 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.41 58.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.96 94.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 18.8 mt -43.53 137.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -38.97 -58.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 40.4 m-85 -89.36 -49.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 70.08 156.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.97 26.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -130.21 57.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 59' ' ' SER . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 67' ' ' ASN . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.542 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.409 ' HG1' ' CE1' ' A' ' 62' ' ' HIS . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.556 ' CE1' HD21 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.522 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.437 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 63.8 mm-40 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 85' ' ' SER . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.56 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.469 ' CA ' HD23 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.56 ' CE3' HD13 ' A' ' 91' ' ' LEU . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.431 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 96' ' ' LEU . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.469 HD23 ' CA ' ' A' ' 92' ' ' ASP . 1.7 mt -85.0 -57.63 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t 61.2 156.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.81 165.93 6.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.8 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.4 t -156.46 142.88 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -159.47 94.24 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.3 164.66 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -154.86 171.08 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 173.59 41.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.88 166.77 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -178.3 166.87 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.33 119.22 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 p -54.35 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.99 159.31 14.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.66 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.3 -178.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.39 148.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.81 54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.41 174.61 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -143.0 74.16 18.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 61.43 5.71 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.461 1.769 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -116.39 76.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.92 92.75 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 20' ' ' LYS . 33.5 mm -78.55 161.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.6 -50.49 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 23.2 m-85 -90.24 -11.13 41.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' PHE . 28.4 mt-30 33.99 39.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' GLN . 10.9 m-20 169.01 47.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -148.54 58.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 93' ' ' VAL . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG3' ' CG1' ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA3' ' CE ' ' A' ' 20' ' ' LYS . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HG3' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 24' ' ' LEU . 6.6 m80 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.508 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 85' ' ' SER . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 84' ' ' VAL . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.561 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.508 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.563 ' CE3' HD12 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.457 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.411 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 1.7 mm? -39.07 -52.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.38 112.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.32 -141.93 1.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.24 33.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 m -83.47 -65.75 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.46 100.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -55.86 121.28 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -139.79 106.56 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -95.93 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.29 142.14 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.062 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -94.58 91.29 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.69 160.02 53.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -73.44 73.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.29 111.17 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.04 140.2 38.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -64.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.2 ttt 39.45 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.71 87.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -174.91 -56.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -82.99 137.76 43.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 56.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.24 62.27 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.87 94.56 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 51' ' ' ARG . 6.8 mt -46.52 127.45 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -38.92 -60.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 14.3 m-85 -84.92 -53.65 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 74.63 7.06 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -140.29 24.36 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -133.33 131.96 40.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' ALA . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 21' ' ' PHE . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.555 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HG ' ' CZ3' ' A' ' 76' ' ' TRP . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 42.5 mm-40 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.498 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.581 HD13 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.581 ' CE3' HD13 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 112' ' ' HIS . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 91' ' ' LEU . 3.2 mt -87.65 -51.22 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.5 157.1 34.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.53 168.77 44.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.47 39.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.02 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.4 132.44 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -140.89 83.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -79.52 147.68 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -176.53 16.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -130.8 149.09 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.33 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 57.82 5.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -132.62 135.06 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.06 76.0 1.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.18 154.22 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -131.39 105.56 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 tpp -76.71 137.04 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.59 -61.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.72 170.5 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 158.74 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.51 5.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -142.32 59.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.62 94.06 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mt -46.58 121.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -62.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.39 122.84 29.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -102.0 149.99 23.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.44 26.04 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -134.01 123.49 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 60' ' ' VAL . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 62' ' ' HIS . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.522 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.58 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.522 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 93' ' ' VAL . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.549 ' CD2' ' CD1' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.585 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.445 ' C ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 91' ' ' LEU . 1.3 mm? -39.17 -67.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.42 106.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.03 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 163.93 19.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.9 4.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t 69.6 -69.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.9 m 62.83 151.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -176.9 155.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -78.56 85.31 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -134.5 11.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -130.27 139.98 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.5 86.85 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.74 -177.75 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -34.72 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 157.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.58 -169.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.42 -64.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.0 173.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.97 160.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.94 84.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.33 77.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.74 4.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.88 61.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.89 94.19 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD11 ' NE ' ' A' ' 51' ' ' ARG . 3.7 mt -48.08 127.29 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.96 -53.01 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 69.0 m-85 -96.48 120.81 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.9 mt-30 -89.6 160.29 16.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' GLN . 5.3 m-20 39.88 41.72 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -133.05 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.522 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.472 ' CB ' HG13 ' A' ' 52' ' ' VAL . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' CE1' ' CD1' ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HD3' ' CG2' ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.565 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 87' ' ' GLN . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 92.6 mm-40 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' NE2' HD23 ' A' ' 74' ' ' LEU . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' N ' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' CA ' HD23 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.475 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.577 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.522 ' O ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.498 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.442 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 108' ' ' MET . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.516 HD11 ' N ' ' A' ' 91' ' ' LEU . 6.4 mt -108.86 -49.7 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.97 -125.06 0.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.31 5.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 137.99 31.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -177.05 146.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.37 133.93 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -106.3 167.06 10.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.13 161.57 14.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 164.29 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.95 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.46 164.49 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.28 165.8 36.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -141.44 156.58 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.383 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.88 128.9 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.15 136.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 152.3 51.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.7 mtt -92.91 99.04 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.24 173.72 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.07 -63.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -171.44 78.6 0.51 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -114.12 58.66 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.52 94.71 2.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 51' ' ' ARG . 87.9 mt -46.25 139.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -39.48 -57.2 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 77.2 m-85 -92.83 -46.56 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.36 152.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 52.66 20.96 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -129.35 64.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 38' ' ' ARG . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.467 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 19' ' ' ILE . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.569 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.512 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.484 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CE1' HD21 ' A' ' 24' ' ' LEU . 14.8 m80 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' HD21 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.646 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 48.2 mm-40 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' GLN . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 74' ' ' LEU . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.528 ' CD2' HD11 ' A' ' 91' ' ' LEU . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.487 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.431 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.517 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 91' ' ' LEU . 2.8 mt -92.58 -37.78 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 p -155.79 156.44 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.28 -165.95 24.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t 61.55 150.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -124.67 126.56 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.46 162.87 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.09 138.11 38.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 132.67 2.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -146.34 152.62 39.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p 178.23 156.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.43 85.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 141.23 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.02 94.68 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.16 131.71 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -61.74 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.3 169.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.98 85.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 t -138.93 -60.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 p 47.7 92.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -35.21 3.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.18 58.23 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.88 94.63 2.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CD1' ' NE ' ' A' ' 51' ' ' ARG . 3.0 mt -48.28 126.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -51.45 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 50' ' ' PHE . 63.3 m-85 -90.94 121.34 32.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ASP . 57.0 mt-30 -89.3 154.74 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' GLN . 68.0 m-20 39.45 40.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -129.38 61.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CB ' HG11 ' A' ' 60' ' ' VAL . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.489 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' CD2' HD13 ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 63' ' ' ILE . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' OE1' ' A' ' 89' ' ' GLU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.571 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 37.7 mm-40 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' CA ' HD12 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.577 ' CZ2' ' HE3' ' A' ' 108' ' ' MET . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 104' ' ' LYS . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.577 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.486 HD12 ' CA ' ' A' ' 92' ' ' ASP . 0.4 OUTLIER -51.02 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 174.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.42 -146.78 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 71.36 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -130.52 137.54 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.944 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.7 p -152.59 158.14 42.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 179.05 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -109.68 92.76 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.29 147.77 17.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -173.63 178.63 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 -175.03 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.33 46.68 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 p -64.53 -173.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 164.67 10.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.31 106.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.08 123.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 177.37 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.13 77.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.14 54.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.32 9.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 56.34 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -143.81 69.88 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.87 94.14 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -48.36 125.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.99 -42.16 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 31.6 m-85 -103.21 115.72 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -97.56 23.24 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -159.42 35.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.74 59.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 38' ' ' ARG . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.467 ' SD ' ' CG1' ' A' ' 52' ' ' VAL . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' SD ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.462 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' HD23 ' A' ' 24' ' ' LEU . 15.7 m80 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.563 ' CH2' ' HG3' ' A' ' 80' ' ' GLN . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CE3' ' CD1' ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' A' ' 100' ' ' ILE . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.586 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.523 ' O ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.478 ' OE2' ' CG2' ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.478 ' CG2' ' OE2' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.502 HD21 ' CA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.23 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.76 154.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.91 -165.2 38.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t -176.47 144.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 147.0 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -170.82 160.48 6.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -133.58 128.51 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.59 167.89 37.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -170.73 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.56 95.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.65 124.67 3.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -141.95 159.88 41.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.797 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.14 74.32 0.18 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.28 131.76 28.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.55 118.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 86.11 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.49 64.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 58.71 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p -163.05 149.15 10.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 75.44 3.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -79.49 60.11 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.62 94.66 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mt -45.68 124.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -57.1 14.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 20.2 m-85 -111.77 127.28 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.81 29.9 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -167.58 39.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -138.85 57.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' N ' HG22 ' A' ' 28' ' ' ILE . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.524 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 32' ' ' LYS . 48.1 m-20 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 33.1 mm-40 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.544 ' CG1' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.524 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.569 ' CE3' HD11 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' ILE . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.557 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' GLY . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 91' ' ' LEU . 2.8 mt -88.7 -60.86 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER 60.91 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.69 -167.98 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m 54.79 81.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 p -109.29 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -167.9 141.45 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -136.93 162.65 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.18 143.46 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.05 144.19 31.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.43 123.62 48.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 85.95 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -113.72 143.72 44.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.74 152.0 1.44 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.09 -91.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.72 131.09 56.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 ttp -178.98 111.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 -68.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.37 -52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t -56.65 110.18 2.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -85.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -131.61 53.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 95.68 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mt -47.87 116.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -77.57 -56.02 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 82.0 m-85 -92.64 60.56 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 29.6 pt20 -80.16 47.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.37 -49.22 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -103.21 167.22 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 60' ' ' VAL . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 64' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.486 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' ' CD1' ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' CD2' ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' CB ' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' CG1' ' CD2' ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 85' ' ' SER . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.525 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.572 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -93.02 -57.89 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.62 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.55 -141.26 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.53 36.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -54.58 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m 48.8 77.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG22 ' HD2' ' A' ' 51' ' ' ARG . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.846 HD12 ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.846 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HA ' ' NH1' ' A' ' 46' ' ' ARG . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.576 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HE3' HG23 ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' HD2' HG22 ' A' ' 25' ' ' VAL . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.689 HD22 ' CH2' ' A' ' 76' ' ' TRP . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 56' ' ' LEU . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' SER . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 96' ' ' LEU . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.576 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.404 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m120 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.633 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.648 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.57 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.636 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 106' ' ' VAL . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.674 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 59' ' ' SER . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.922 HD12 ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.922 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD22 ' HE ' ' A' ' 47' ' ' ARG . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.877 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.739 HG11 ' CB ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.721 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG21 HD12 ' A' ' 56' ' ' LEU . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.53 ' CG2' HG13 ' A' ' 26' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.628 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 82' ' ' VAL . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.639 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.644 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.831 ' CD2' HD13 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 26' ' ' VAL . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HB3' HG11 ' A' ' 106' ' ' VAL . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.877 HG23 ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' A' ' 99' ' ' CYS . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.683 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.85 HD12 ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 28' ' ' ILE . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.85 ' HG3' HD12 ' A' ' 28' ' ' ILE . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 100' ' ' ILE . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' CB ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.641 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.75 ' O ' HG23 ' A' ' 61' ' ' THR . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 56' ' ' LEU . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 59' ' ' SER . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CE1' HD22 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.3 m120 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HB3' HG12 ' A' ' 82' ' ' VAL . 17.1 mm100 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.874 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 84' ' ' VAL . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.751 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.702 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 28' ' ' ILE . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 48' ' ' LYS . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 107' ' ' GLU . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.751 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 96' ' ' LEU . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD12 ' CG ' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 41' ' ' LEU . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.63 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' ' 100' ' ' ILE . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 45' ' ' ALA . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.903 HD23 ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 61' ' ' THR . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' SER . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.758 ' CE1' HD22 ' A' ' 24' ' ' LEU . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' HD22 ' A' ' 56' ' ' LEU . 22.2 mm100 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.903 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 84' ' ' VAL . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 97' ' ' ILE . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CD1' HG23 ' A' ' 106' ' ' VAL . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 93' ' ' VAL . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.567 HG23 ' HE3' ' A' ' 48' ' ' LYS . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.557 HG23 ' HG3' ' A' ' 107' ' ' GLU . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 59' ' ' SER . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG13 HG23 ' A' ' 64' ' ' VAL . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.403 ' HD2' HG23 ' A' ' 63' ' ' ILE . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.833 HD12 ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.833 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HE2' HG23 ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 45' ' ' ALA . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.671 HD23 ' CG1' ' A' ' 82' ' ' VAL . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.671 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 HD12 ' A' ' 56' ' ' LEU . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.576 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 38.7 m-70 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 26' ' ' VAL . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.704 ' HA ' HD23 ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.711 ' CZ2' ' NE2' ' A' ' 80' ' ' GLN . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.711 ' NE2' ' CZ2' ' A' ' 76' ' ' TRP . 12.3 mm100 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.671 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.508 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' HG23 ' A' ' 106' ' ' VAL . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.798 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' A' ' 106' ' ' VAL . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' A' ' 99' ' ' CYS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.417 ' HG2' HD22 ' A' ' 91' ' ' LEU . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.707 HD12 ' C ' ' A' ' 90' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 64' ' ' VAL . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.807 HD12 ' HG3' ' A' ' 42' ' ' MET . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.807 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 24' ' ' LEU . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.762 HG11 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 61' ' ' THR . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 56' ' ' LEU . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 59' ' ' SER . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.582 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 27.1 m-70 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 HG13 ' A' ' 26' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.9 m120 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.519 ' HB ' HD13 ' A' ' 90' ' ' LEU . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' A' ' 56' ' ' LEU . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 82' ' ' VAL . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CD2' HD13 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 28' ' ' ILE . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.486 ' SD ' HD21 ' A' ' 91' ' ' LEU . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.598 HG13 HG23 ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HG3' ' A' ' 42' ' ' MET . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.824 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HE3' HG23 ' A' ' 100' ' ' ILE . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 24' ' ' LEU . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.738 HG11 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.687 ' HA ' HG12 ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.724 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 56' ' ' LEU . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.647 ' HE2' HD22 ' A' ' 24' ' ' LEU . 17.3 m-70 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 26' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB1' ' CG ' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.602 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' HG3' HD22 ' A' ' 56' ' ' LEU . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 82' ' ' VAL . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.977 ' OE2' HD11 ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.977 HD11 ' OE2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' CA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 97' ' ' ILE . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.527 ' CD2' HD13 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.491 HG13 HG22 ' A' ' 93' ' ' VAL . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.59 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.456 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.865 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG11 HD23 ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.819 HD12 ' CG ' ' A' ' 42' ' ' MET . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' LEU . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.819 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HE3' HG23 ' A' ' 100' ' ' ILE . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 24' ' ' LEU . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.658 HG11 ' CB ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.927 ' HB3' HG11 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.617 ' O ' HG21 ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.577 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 13.5 m120 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' HG12 ' A' ' 82' ' ' VAL . 7.4 mm100 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.927 HG11 ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.832 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.712 ' CD1' HG23 ' A' ' 106' ' ' VAL . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.54 HD23 HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 106' ' ' VAL . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' HE3' ' A' ' 48' ' ' LYS . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.712 HG23 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 96' ' ' LEU . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.438 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.844 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.772 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.5 m-80 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.681 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.562 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.562 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 21.2 m-70 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.782 HD12 ' HG2' ' A' ' 88' ' ' PRO . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' HZ3' HD22 ' A' ' 77' ' ' LEU . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.553 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 7.9 mm100 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.743 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 89' ' ' GLU . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.704 ' HA ' HD21 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.505 ' HA ' HG13 ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CD1' HG23 ' A' ' 106' ' ' VAL . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.686 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 106' ' ' VAL . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 99' ' ' CYS . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.3 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG13 HG23 ' A' ' 64' ' ' VAL . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HD1' HG23 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.699 HD12 ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.983 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 44' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.624 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 45' ' ' ALA . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.884 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 61' ' ' THR . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 56' ' ' LEU . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 59' ' ' SER . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.454 ' NE2' HD22 ' A' ' 24' ' ' LEU . 43.9 m-70 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 26' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.69 ' HA ' HD23 ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 57' ' ' SER . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.884 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 84' ' ' VAL . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.687 ' C ' HD13 ' A' ' 90' ' ' LEU . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.687 HD13 ' C ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.719 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.532 ' HA ' HD11 ' A' ' 114' ' ' LEU . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.689 ' CD2' HD13 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.81 ' SG ' HG22 ' A' ' 106' ' ' VAL . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.624 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.81 HG22 ' SG ' ' A' ' 99' ' ' CYS . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.719 ' SD ' HD21 ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.648 ' HG2' HD23 ' A' ' 91' ' ' LEU . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.716 HG22 ' CD ' ' A' ' 51' ' ' ARG . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 96' ' ' LEU . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HD3' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 28' ' ' ILE . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD11 ' HD3' ' A' ' 37' ' ' ARG . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CD1' HD12 ' A' ' 24' ' ' LEU . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.716 ' CD ' HG22 ' A' ' 25' ' ' VAL . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.92 HD23 ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.712 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 56' ' ' LEU . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.695 ' HE1' HD22 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.502 ' O ' HD22 ' A' ' 114' ' ' LEU . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' HD23 ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG3' HD22 ' A' ' 56' ' ' LEU . 21.1 mm100 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.92 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.645 ' C ' HD23 ' A' ' 90' ' ' LEU . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 HG13 ' A' ' 97' ' ' ILE . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.629 ' CD1' HG23 ' A' ' 106' ' ' VAL . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.557 ' CD2' HG11 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 106' ' ' VAL . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' HE2' ' A' ' 48' ' ' LYS . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 99' ' ' CYS . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 107' ' ' GLU . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.843 HG22 ' HD3' ' A' ' 51' ' ' ARG . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.937 ' HG2' HD12 ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.649 ' CG ' HG13 ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.843 ' HD3' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG13 ' CG ' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD12 ' H ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.585 ' H ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.753 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.765 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 59' ' ' SER . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.531 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 10.2 m-70 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.61 HD12 ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.549 HG23 HG13 ' A' ' 26' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.767 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.767 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 56' ' ' LEU . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 84' ' ' VAL . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' HD13 ' A' ' 90' ' ' LEU . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.806 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD11 ' A' ' 114' ' ' LEU . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.481 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 28' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 99' ' ' CYS . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 109' ' ' THR . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 91' ' ' LEU . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 107' ' ' GLU . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 90' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HG23 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.939 HD12 ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.939 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HG23 ' A' ' 100' ' ' ILE . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 52' ' ' VAL . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 45' ' ' ALA . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.749 ' O ' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD22 ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.682 ' HA ' HG12 ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' SER . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 26' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.768 ' O ' HD22 ' A' ' 114' ' ' LEU . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 11.0 mm100 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 70' ' ' GLY . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.613 ' HA ' HD21 ' A' ' 114' ' ' LEU . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 97' ' ' ILE . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.527 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 93' ' ' VAL . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.506 HG23 ' CE ' ' A' ' 48' ' ' LYS . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 68' ' ' ASN . 3.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 59' ' ' SER . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 96' ' ' LEU . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.79 HD12 ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.981 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.79 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HG23 ' A' ' 100' ' ' ILE . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' A' ' 45' ' ' ALA . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.907 HD13 ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 61' ' ' THR . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 59' ' ' SER . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 96' ' ' LEU . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.589 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.53 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG11 HD22 ' A' ' 90' ' ' LEU . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.907 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.838 HD22 HG11 ' A' ' 73' ' ' VAL . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 114' ' ' LEU . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CD1' HG23 ' A' ' 106' ' ' VAL . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.614 HD22 HG21 ' A' ' 64' ' ' VAL . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.449 HG23 ' HE3' ' A' ' 48' ' ' LYS . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.561 HG23 ' CD1' ' A' ' 95' ' ' TRP . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 91' ' ' LEU . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.867 HG22 ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.919 HD11 ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.69 ' CG ' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' HG23 ' A' ' 100' ' ' ILE . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.746 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.867 ' HD3' HG22 ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG11 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 60' ' ' VAL . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 61' ' ' THR . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 56' ' ' LEU . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 59' ' ' SER . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.816 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.867 ' O ' HD22 ' A' ' 114' ' ' LEU . 7.8 m120 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.659 HG12 HD12 ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CH2' HD22 ' A' ' 56' ' ' LEU . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 29.9 mm100 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 108' ' ' MET . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.535 ' HA ' HD21 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HG3' ' A' ' 66' ' ' GLU . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.919 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.539 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.92 ' HG3' HG23 ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.55 ' HG2' HD22 ' A' ' 91' ' ' LEU . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.92 HG23 ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 68' ' ' ASN . 6.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.882 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE3' HG23 ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 24' ' ' LEU . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HD3' HG22 ' A' ' 25' ' ' VAL . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 ' CB ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD22 ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.774 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.611 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.611 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 21.8 m-70 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.935 ' O ' HD22 ' A' ' 114' ' ' LEU . 11.7 m120 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.604 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 76' ' ' TRP . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.604 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 mm100 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HD3' ' A' ' 88' ' ' PRO . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.909 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' A' ' 73' ' ' VAL . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 97' ' ' ILE . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.644 ' CD1' HG23 ' A' ' 106' ' ' VAL . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 93' ' ' VAL . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' HE3' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.675 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 96' ' ' LEU . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 42' ' ' MET . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.876 ' HG3' HD12 ' A' ' 28' ' ' ILE . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 100' ' ' ILE . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' CB ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD22 ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 82' ' ' VAL . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 56' ' ' LEU . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.675 ' HE1' HD22 ' A' ' 24' ' ' LEU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.725 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 96' ' ' LEU . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.553 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.638 ' HB ' HD13 ' A' ' 90' ' ' LEU . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.722 ' HG3' HD22 ' A' ' 56' ' ' LEU . 12.3 mm100 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 57' ' ' SER . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.725 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.058 ' C ' HD13 ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.058 HD13 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.57 ' N ' HD11 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.509 ' HA ' HG13 ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.717 ' CD1' HG23 ' A' ' 106' ' ' VAL . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 106' ' ' VAL . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.479 HG23 ' HE3' ' A' ' 48' ' ' LYS . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' HD11 ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.565 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 96' ' ' LEU . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 42' ' ' MET . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.977 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.761 ' CG ' HD12 ' A' ' 28' ' ' ILE . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' HD23 ' A' ' 44' ' ' LEU . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 24' ' ' LEU . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' CB ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' HA ' HG12 ' A' ' 84' ' ' VAL . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.651 HG21 HD12 ' A' ' 56' ' ' LEU . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.656 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.656 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 23.4 m-70 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.695 HD12 ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.584 ' CH2' HD22 ' A' ' 56' ' ' LEU . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG3' HD22 ' A' ' 56' ' ' LEU . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CA ' HD11 ' A' ' 114' ' ' LEU . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 97' ' ' ILE . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.615 ' CE3' HD13 ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 HG22 ' A' ' 93' ' ' VAL . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.713 ' CD1' HD13 ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.588 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.812 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 91' ' ' LEU . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 64' ' ' VAL . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD12 ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.774 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HE3' HG23 ' A' ' 100' ' ' ILE . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 24' ' ' LEU . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.949 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.55 ' O ' HG21 ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 59' ' ' SER . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.7 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.758 HD12 ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 96' ' ' LEU . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.858 ' O ' HD22 ' A' ' 114' ' ' LEU . 12.9 m120 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 9.2 mm100 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 57' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.758 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 64' ' ' VAL . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.474 HG23 ' HE3' ' A' ' 48' ' ' LYS . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 99' ' ' CYS . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 51' ' ' ARG . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 52' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.848 HD12 ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.848 ' HG3' HD12 ' A' ' 28' ' ' ILE . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' N ' HH21 ' A' ' 46' ' ' ARG . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH21 ' N ' ' A' ' 43' ' ' GLU . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 26' ' ' VAL . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD23 ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 88' ' ' PRO . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 59' ' ' SER . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.792 HD12 ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.781 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.781 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.597 HG12 HD12 ' A' ' 77' ' ' LEU . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.495 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' A' ' 82' ' ' VAL . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.885 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.792 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' ' 114' ' ' LEU . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CD2' HD13 ' A' ' 91' ' ' LEU . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.721 ' SG ' HG22 ' A' ' 106' ' ' VAL . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.452 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.721 HG22 ' SG ' ' A' ' 99' ' ' CYS . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.441 ' SD ' HD21 ' A' ' 91' ' ' LEU . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -174.4 156.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -169.91 162.87 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.77 177.0 38.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -148.17 -59.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 63.39 164.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.72 29.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.5 p -135.54 175.91 9.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.25 151.0 6.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.7 140.27 9.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.64 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.51 170.34 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.04 81.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 t 42.43 75.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 75.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -179.46 58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.41 95.15 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 49' ' ' GLY . 3.5 mt -47.5 121.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.15 -58.9 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 105' ' ' PRO . 23.4 m-85 -109.79 125.63 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -96.86 31.49 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.232 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -167.08 39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -137.95 58.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG22 ' HD2' ' A' ' 51' ' ' ARG . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.846 HD12 ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.846 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HA ' ' NH1' ' A' ' 46' ' ' ARG . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.576 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HE3' HG23 ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' HD2' HG22 ' A' ' 25' ' ' VAL . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD22 ' CH2' ' A' ' 76' ' ' TRP . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 56' ' ' LEU . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' SER . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 96' ' ' LEU . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.576 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.404 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m120 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.633 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.648 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.57 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.636 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 106' ' ' VAL . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.674 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -80.0 -56.54 4.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 158.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.69 164.67 32.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.71 4.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.37 125.31 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 -58.76 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -156.56 121.12 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -144.01 132.51 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.06 130.95 1.39 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -167.99 149.47 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -143.19 155.87 44.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 140.4 2.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.6 m -153.05 141.04 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.388 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 106.4 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -176.19 160.03 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -153.91 60.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.5 86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.52 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.34 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m 73.49 149.1 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.54 5.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.09 55.92 2.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.63 95.87 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.8 mp -63.37 155.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -74.73 -49.59 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 31.8 m-85 -83.16 -43.52 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 59.43 14.69 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.99 21.65 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -138.27 131.24 29.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 59' ' ' SER . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.922 HD12 ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.922 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD22 ' HE ' ' A' ' 47' ' ' ARG . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.877 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.739 HG11 ' CB ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.721 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG21 HD12 ' A' ' 56' ' ' LEU . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.53 ' CG2' HG13 ' A' ' 26' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.628 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 82' ' ' VAL . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.639 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.644 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.831 ' CD2' HD13 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 26' ' ' VAL . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HB3' HG11 ' A' ' 106' ' ' VAL . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.877 HG23 ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' A' ' 99' ' ' CYS . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.683 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? -41.09 -69.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 t 178.69 153.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.051 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -115.16 169.43 12.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.89 28.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -147.57 -60.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m 43.96 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -143.58 153.03 42.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.63 96.7 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.58 66.1 2.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -101.6 170.17 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 109.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.25 142.97 7.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.89 140.87 50.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.46 -122.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.76 107.19 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tt -47.05 -62.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 tpt 51.62 91.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.5 84.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -164.34 85.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -120.45 125.34 27.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -130.61 57.11 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.32 94.43 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.3 mp -62.24 156.14 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -92.1 -49.43 6.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -78.84 -50.19 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER 76.38 -53.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.92 39.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.36 62.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.85 HD12 ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 28' ' ' ILE . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.85 ' HG3' HD12 ' A' ' 28' ' ' ILE . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 100' ' ' ILE . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' CB ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.641 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.75 ' O ' HG23 ' A' ' 61' ' ' THR . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 56' ' ' LEU . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 59' ' ' SER . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CE1' HD22 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.3 m120 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HB3' HG12 ' A' ' 82' ' ' VAL . 17.1 mm100 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.874 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 84' ' ' VAL . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.751 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.702 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 28' ' ' ILE . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 48' ' ' LYS . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 107' ' ' GLU . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.751 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -42.02 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 93.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.9 160.59 24.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.28 39.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 155.39 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -78.04 112.91 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -49.89 159.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 0.792 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -178.65 117.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.04 72.23 0.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.74 154.19 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -77.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 77.98 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.6 m -110.16 115.26 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.1 81.49 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.88 137.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.65 -65.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -169.72 165.31 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.11 88.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -179.3 147.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -114.4 96.38 42.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.09 3.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -117.93 63.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.98 94.86 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.05 153.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -53.02 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 105' ' ' PRO . 81.4 m-85 -96.13 -43.51 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER 66.21 153.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 50.13 22.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -126.67 52.7 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 96' ' ' LEU . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD12 ' CG ' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 41' ' ' LEU . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.63 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' ' 100' ' ' ILE . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 45' ' ' ALA . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.903 HD23 ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 61' ' ' THR . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' SER . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.758 ' CE1' HD22 ' A' ' 24' ' ' LEU . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' HD22 ' A' ' 56' ' ' LEU . 22.2 mm100 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.903 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 84' ' ' VAL . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 97' ' ' ILE . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CD1' HG23 ' A' ' 106' ' ' VAL . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 93' ' ' VAL . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.567 HG23 ' HE3' ' A' ' 48' ' ' LYS . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 21' ' ' PHE . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.557 HG23 ' HG3' ' A' ' 107' ' ' GLU . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -40.85 -64.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.95 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.21 167.69 39.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.02 27.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -107.22 -10.19 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.4 p -140.55 163.84 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m 63.52 149.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -178.71 161.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.99 47.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.95 163.78 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -60.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.28 161.05 37.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 m -147.73 141.38 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.76 140.76 12.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.14 129.87 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.86 101.2 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.37 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.01 -63.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.61 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.63 81.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 66.82 5.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.77 59.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.24 94.56 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 22' ' ' GLN . 1.8 mt -42.76 137.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -63.32 -57.13 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 16.3 m-85 -83.92 -53.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 19' ' ' ILE . 3.1 mt-30 82.54 -61.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -88.62 44.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -142.79 62.49 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 59' ' ' SER . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG13 HG23 ' A' ' 64' ' ' VAL . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.403 ' HD2' HG23 ' A' ' 63' ' ' ILE . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.833 HD12 ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.833 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HE2' HG23 ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 45' ' ' ALA . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.671 HD23 ' CG1' ' A' ' 82' ' ' VAL . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.671 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 HD12 ' A' ' 56' ' ' LEU . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.576 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 38.7 m-70 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 26' ' ' VAL . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.704 ' HA ' HD23 ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.711 ' CZ2' ' NE2' ' A' ' 80' ' ' GLN . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.711 ' NE2' ' CZ2' ' A' ' 76' ' ' TRP . 12.3 mm100 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.671 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.508 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' HG23 ' A' ' 106' ' ' VAL . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.798 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' A' ' 106' ' ' VAL . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' A' ' 99' ' ' CYS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.417 ' HG2' HD22 ' A' ' 91' ' ' LEU . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.525 ' NE2' ' OE1' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.707 HD12 ' C ' ' A' ' 90' ' ' LEU . 1.5 mt -92.74 -64.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.35 178.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.83 -176.16 28.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -56.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 m -133.23 155.47 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.71 156.14 39.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.88 126.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 135.91 8.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -174.55 112.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.65 167.58 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.54 40.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -46.97 173.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.64 154.22 8.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -77.88 -161.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -142.27 -59.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.7 161.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.67 98.96 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.22 74.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.05 165.89 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.62 5.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.0 65.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.01 94.49 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -46.48 123.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -90.83 -55.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 27.8 m-85 -90.91 118.6 30.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.52 32.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -171.17 41.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.38 56.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 64' ' ' VAL . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.807 HD12 ' HG3' ' A' ' 42' ' ' MET . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.807 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 24' ' ' LEU . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.762 HG11 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 61' ' ' THR . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 56' ' ' LEU . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 59' ' ' SER . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.582 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 27.1 m-70 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 HG13 ' A' ' 26' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.9 m120 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.519 ' HB ' HD13 ' A' ' 90' ' ' LEU . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' A' ' 56' ' ' LEU . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 82' ' ' VAL . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CD2' HD13 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 28' ' ' ILE . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.486 ' SD ' HD21 ' A' ' 91' ' ' LEU . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.6 mm? -40.03 -58.77 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.48 167.72 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.86 -151.57 6.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.4 38.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.3 p -177.65 145.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t 67.0 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.2 99.82 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -175.24 161.94 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.34 108.37 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.32 160.48 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 65.08 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 m -125.0 143.36 50.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.58 146.97 17.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.27 70.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 121.05 37.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.39 120.57 25.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 158.23 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.61 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p -137.94 149.66 64.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 61.5 5.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -122.64 107.2 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 170.45 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.86 132.47 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -47.99 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -91.96 110.31 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -91.71 33.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -173.18 43.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -147.67 63.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.598 HG13 HG23 ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HG3' ' A' ' 42' ' ' MET . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.824 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HE3' HG23 ' A' ' 100' ' ' ILE . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 24' ' ' LEU . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.738 HG11 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.687 ' HA ' HG12 ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.724 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 56' ' ' LEU . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.647 ' HE2' HD22 ' A' ' 24' ' ' LEU . 17.3 m-70 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 26' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB1' ' CG ' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.602 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' HG3' HD22 ' A' ' 56' ' ' LEU . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 82' ' ' VAL . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.977 ' OE2' HD11 ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD11 ' OE2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' CA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 97' ' ' ILE . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' CD2' HD13 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.491 HG13 HG22 ' A' ' 93' ' ' VAL . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.59 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.456 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.16 -64.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 p -175.66 166.8 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.53 -171.64 36.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.23 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -59.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -125.72 161.03 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.04 108.07 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.07 161.38 24.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.31 163.43 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -153.01 146.66 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.14 123.17 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -138.29 149.46 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.22 108.51 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.26 122.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.97 138.17 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.39 -56.07 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -76.69 69.25 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t 41.14 80.71 0.27 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.9 60.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.69 93.76 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 22' ' ' GLN . 3.9 mt -45.54 126.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -61.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 2.6 m-85 -85.64 -51.48 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.638 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER 76.48 -54.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.48 37.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.865 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -139.45 62.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG11 HD23 ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.819 HD12 ' CG ' ' A' ' 42' ' ' MET . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' LEU . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.819 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HE3' HG23 ' A' ' 100' ' ' ILE . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 24' ' ' LEU . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.658 HG11 ' CB ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.927 ' HB3' HG11 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.617 ' O ' HG21 ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.577 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 13.5 m120 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' HG12 ' A' ' 82' ' ' VAL . 7.4 mm100 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.927 HG11 ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.832 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.712 ' CD1' HG23 ' A' ' 106' ' ' VAL . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.54 HD23 HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 106' ' ' VAL . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' HE3' ' A' ' 48' ' ' LYS . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.55 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.712 HG23 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -52.99 -66.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 60.07 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -123.51 -177.47 15.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 38.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -100.65 116.51 32.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 t -141.8 106.89 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.25 163.72 30.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -166.73 166.01 16.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.36 122.43 2.3 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.23 103.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 133.26 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.88 133.77 3.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -129.4 126.79 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.96 -93.77 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.75 67.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 46.03 60.67 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.8 ptm -177.14 154.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 -59.18 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 p -162.22 95.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -168.72 81.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.34 52.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.66 95.22 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -49.98 135.9 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -53.2 -56.1 19.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 4.5 m-85 -113.41 121.97 45.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -92.51 25.21 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -163.31 37.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -134.6 58.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 96' ' ' LEU . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.438 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.844 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.772 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.5 m-80 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.681 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.562 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.562 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 21.2 m-70 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.782 HD12 ' HG2' ' A' ' 88' ' ' PRO . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' HZ3' HD22 ' A' ' 77' ' ' LEU . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.553 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 7.9 mm100 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.743 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 89' ' ' GLU . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.704 ' HA ' HD21 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.505 ' HA ' HG13 ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CD1' HG23 ' A' ' 106' ' ' VAL . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.686 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 106' ' ' VAL . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 99' ' ' CYS . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.3 mt -73.99 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 173.72 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.5 -156.03 10.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -109.77 158.44 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 p -79.72 -58.51 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.13 82.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.35 157.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.14 101.39 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.8 113.85 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.48 82.42 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 107.15 3.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -125.63 157.01 38.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.4 74.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.36 42.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -110.93 124.98 53.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -60.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -90.59 124.44 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.7 147.71 16.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ILE . 1.2 pt20 -169.62 164.41 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.27 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 51' ' ' ARG . 4.3 mt -56.9 124.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -61.62 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 4.9 m-85 -99.43 127.96 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASP . 41.3 mt-30 -80.91 151.66 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' GLN . 57.5 m-20 39.99 57.82 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.26 55.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG13 HG23 ' A' ' 64' ' ' VAL . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HD1' HG23 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.699 HD12 ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.983 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 44' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.624 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 19' ' ' ILE . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 45' ' ' ALA . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.884 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 61' ' ' THR . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 56' ' ' LEU . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 59' ' ' SER . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.454 ' NE2' HD22 ' A' ' 24' ' ' LEU . 43.9 m-70 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 26' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.69 ' HA ' HD23 ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 57' ' ' SER . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.884 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 84' ' ' VAL . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.687 ' C ' HD13 ' A' ' 90' ' ' LEU . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.687 HD13 ' C ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.532 ' HA ' HD11 ' A' ' 114' ' ' LEU . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.689 ' CD2' HD13 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.81 ' SG ' HG22 ' A' ' 106' ' ' VAL . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.624 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.54 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.81 HG22 ' SG ' ' A' ' 99' ' ' CYS . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.719 ' SD ' HD21 ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.648 ' HG2' HD23 ' A' ' 91' ' ' LEU . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? -40.67 -66.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.2 p 55.66 178.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.5 47.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.45 36.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.1 p -156.07 114.61 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.24 114.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -147.71 83.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 m -119.65 134.07 55.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.42 121.89 1.36 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.82 161.12 40.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -178.09 144.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.41 118.33 0.47 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.83 147.78 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 61.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.46 171.37 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.18 71.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.39 163.22 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 170.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.52 88.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.45 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.41 58.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.96 94.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 51' ' ' ARG . 18.8 mt -43.53 137.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -38.97 -58.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 40.4 m-85 -89.36 -49.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.612 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER 70.08 156.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.97 26.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -130.21 57.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.716 HG22 ' CD ' ' A' ' 51' ' ' ARG . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 96' ' ' LEU . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HD3' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 28' ' ' ILE . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD11 ' HD3' ' A' ' 37' ' ' ARG . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.716 ' CD ' HG22 ' A' ' 25' ' ' VAL . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.92 HD23 ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.712 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 56' ' ' LEU . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.695 ' HE1' HD22 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.502 ' O ' HD22 ' A' ' 114' ' ' LEU . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' HD23 ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG3' HD22 ' A' ' 56' ' ' LEU . 21.1 mm100 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.92 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.645 ' C ' HD23 ' A' ' 90' ' ' LEU . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 HG13 ' A' ' 97' ' ' ILE . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.629 ' CD1' HG23 ' A' ' 106' ' ' VAL . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.557 ' CD2' HG11 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 106' ' ' VAL . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' HE2' ' A' ' 48' ' ' LYS . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 99' ' ' CYS . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 107' ' ' GLU . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.7 mt -85.0 -57.63 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t 61.2 156.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.81 165.93 6.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.8 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.4 t -156.46 142.88 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -159.47 94.24 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.3 164.66 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -154.86 171.08 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 173.59 41.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.88 166.77 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -178.3 166.87 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.33 119.22 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 p -54.35 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.99 159.31 14.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.66 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.3 -178.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.39 148.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.81 54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.41 174.61 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -143.0 74.16 18.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 61.43 5.71 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.461 1.769 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -116.39 76.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.92 92.75 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 20' ' ' LYS . 33.5 mm -78.55 161.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.6 -50.49 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 23.2 m-85 -90.24 -11.13 41.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' PHE . 28.4 mt-30 33.99 39.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' GLN . 10.9 m-20 169.01 47.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD22 ' NE2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -148.54 58.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.843 HG22 ' HD3' ' A' ' 51' ' ' ARG . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.937 ' HG2' HD12 ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.649 ' CG ' HG13 ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' HA3' ' CE ' ' A' ' 20' ' ' LYS . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.843 ' HD3' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG13 ' CG ' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD12 ' H ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.585 ' H ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.753 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.765 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 59' ' ' SER . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.531 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 10.2 m-70 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.61 HD12 ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.549 HG23 HG13 ' A' ' 26' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.767 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.767 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 56' ' ' LEU . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 84' ' ' VAL . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' HD13 ' A' ' 90' ' ' LEU . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.806 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD11 ' A' ' 114' ' ' LEU . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.481 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 28' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 99' ' ' CYS . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 109' ' ' THR . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 91' ' ' LEU . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 107' ' ' GLU . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 90' ' ' LEU . 1.7 mm? -39.07 -52.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.38 112.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.32 -141.93 1.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.24 33.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 m -83.47 -65.75 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.46 100.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -55.86 121.28 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -139.79 106.56 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -95.93 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.29 142.14 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.062 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -94.58 91.29 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.69 160.02 53.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -73.44 73.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.29 111.17 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.04 140.2 38.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -64.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.2 ttt 39.45 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.71 87.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -174.91 -56.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -82.99 137.76 43.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 56.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.24 62.27 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.87 94.56 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 51' ' ' ARG . 6.8 mt -46.52 127.45 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -38.92 -60.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 14.3 m-85 -84.92 -53.65 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.633 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER 74.63 7.06 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -140.29 24.36 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -133.33 131.96 40.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HG23 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.939 HD12 ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.939 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HG23 ' A' ' 100' ' ' ILE . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 21' ' ' PHE . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 52' ' ' VAL . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.788 ' HB2' HD13 ' A' ' 19' ' ' ILE . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 45' ' ' ALA . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.749 ' O ' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD22 ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.682 ' HA ' HG12 ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' SER . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 26' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.768 ' O ' HD22 ' A' ' 114' ' ' LEU . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 11.0 mm100 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 70' ' ' GLY . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.613 ' HA ' HD21 ' A' ' 114' ' ' LEU . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 97' ' ' ILE . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.527 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 93' ' ' VAL . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.506 HG23 ' CE ' ' A' ' 48' ' ' LYS . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 68' ' ' ASN . 3.2 mt -87.65 -51.22 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.5 157.1 34.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.53 168.77 44.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.47 39.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.02 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.4 132.44 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -140.89 83.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -79.52 147.68 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -176.53 16.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -130.8 149.09 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.33 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 57.82 5.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -132.62 135.06 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.06 76.0 1.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.18 154.22 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -131.39 105.56 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 tpp -76.71 137.04 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.59 -61.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.72 170.5 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 158.74 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.51 5.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -142.32 59.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.62 94.06 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 51' ' ' ARG . 2.7 mt -46.58 121.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -62.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.39 122.84 29.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -102.0 149.99 23.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.44 26.04 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -134.01 123.49 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 59' ' ' SER . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 96' ' ' LEU . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.79 HD12 ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.981 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.79 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HG23 ' A' ' 100' ' ' ILE . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HB2' HD13 ' A' ' 19' ' ' ILE . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' A' ' 45' ' ' ALA . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.907 HD13 ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 61' ' ' THR . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 59' ' ' SER . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 96' ' ' LEU . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.589 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.53 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG11 HD22 ' A' ' 90' ' ' LEU . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.907 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.838 HD22 HG11 ' A' ' 73' ' ' VAL . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 114' ' ' LEU . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CD1' HG23 ' A' ' 106' ' ' VAL . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.614 HD22 HG21 ' A' ' 64' ' ' VAL . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG23 ' HE3' ' A' ' 48' ' ' LYS . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.561 HG23 ' CD1' ' A' ' 95' ' ' TRP . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 91' ' ' LEU . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.3 mm? -39.17 -67.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.42 106.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.03 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 163.93 19.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.9 4.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t 69.6 -69.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.9 m 62.83 151.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -176.9 155.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -78.56 85.31 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -134.5 11.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -130.27 139.98 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.5 86.85 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.74 -177.75 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -34.72 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 157.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.58 -169.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.42 -64.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.0 173.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.97 160.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.94 84.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.33 77.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.74 4.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.88 61.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.89 94.19 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 51' ' ' ARG . 3.7 mt -48.08 127.29 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.96 -53.01 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 69.0 m-85 -96.48 120.81 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.9 mt-30 -89.6 160.29 16.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' GLN . 5.3 m-20 39.88 41.72 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -133.05 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.867 HG22 ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.919 HD11 ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.69 ' CG ' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' HG23 ' A' ' 100' ' ' ILE . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.746 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.867 ' HD3' HG22 ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG11 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 60' ' ' VAL . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 61' ' ' THR . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 56' ' ' LEU . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 59' ' ' SER . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.816 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.867 ' O ' HD22 ' A' ' 114' ' ' LEU . 7.8 m120 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.659 HG12 HD12 ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CH2' HD22 ' A' ' 56' ' ' LEU . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 29.9 mm100 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 108' ' ' MET . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.535 ' HA ' HD21 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HG3' ' A' ' 66' ' ' GLU . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.919 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.539 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.577 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.92 ' HG3' HG23 ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.55 ' HG2' HD22 ' A' ' 91' ' ' LEU . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.92 HG23 ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 68' ' ' ASN . 6.4 mt -108.86 -49.7 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.97 -125.06 0.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.31 5.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 137.99 31.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -177.05 146.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.37 133.93 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -106.3 167.06 10.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.13 161.57 14.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 164.29 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.95 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.46 164.49 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.28 165.8 36.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -141.44 156.58 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.383 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.88 128.9 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.15 136.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 152.3 51.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.7 mtt -92.91 99.04 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' HG3' ' A' ' 16' ' ' PRO . . . -171.24 173.72 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.07 -63.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -171.44 78.6 0.51 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -114.12 58.66 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.52 94.71 2.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.917 HD13 ' HB2' ' A' ' 51' ' ' ARG . 87.9 mt -46.25 139.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -39.48 -57.2 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 77.2 m-85 -92.83 -46.56 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.603 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER 64.36 152.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 52.66 20.96 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -129.35 64.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.882 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE3' HG23 ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 24' ' ' LEU . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.917 ' HB2' HD13 ' A' ' 19' ' ' ILE . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 ' CB ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD22 ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.774 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.611 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.611 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 21.8 m-70 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.935 ' O ' HD22 ' A' ' 114' ' ' LEU . 11.7 m120 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.604 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 76' ' ' TRP . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.604 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 13.6 mm100 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HD3' ' A' ' 88' ' ' PRO . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.909 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' A' ' 73' ' ' VAL . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 97' ' ' ILE . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.644 ' CD1' HG23 ' A' ' 106' ' ' VAL . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 93' ' ' VAL . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' HE3' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt -92.58 -37.78 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 p -155.79 156.44 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.28 -165.95 24.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t 61.55 150.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -124.67 126.56 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.46 162.87 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.09 138.11 38.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 132.67 2.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -146.34 152.62 39.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p 178.23 156.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.43 85.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 141.23 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.02 94.68 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.16 131.71 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -61.74 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.3 169.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.98 85.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 t -138.93 -60.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 p 47.7 92.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -35.21 3.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.18 58.23 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.88 94.63 2.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CD1' ' NE ' ' A' ' 51' ' ' ARG . 3.0 mt -48.28 126.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -51.45 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 50' ' ' PHE . 63.3 m-85 -90.94 121.34 32.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ASP . 57.0 mt-30 -89.3 154.74 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' GLN . 68.0 m-20 39.45 40.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -129.38 61.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 96' ' ' LEU . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 42' ' ' MET . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.876 ' HG3' HD12 ' A' ' 28' ' ' ILE . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 100' ' ' ILE . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' CB ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD22 ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 82' ' ' VAL . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 56' ' ' LEU . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.675 ' HE1' HD22 ' A' ' 24' ' ' LEU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.725 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 96' ' ' LEU . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.553 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.638 ' HB ' HD13 ' A' ' 90' ' ' LEU . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.722 ' HG3' HD22 ' A' ' 56' ' ' LEU . 12.3 mm100 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 57' ' ' SER . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.725 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.058 ' C ' HD13 ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.058 HD13 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.57 ' N ' HD11 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.509 ' HA ' HG13 ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.717 ' CD1' HG23 ' A' ' 106' ' ' VAL . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 106' ' ' VAL . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.479 HG23 ' HE3' ' A' ' 48' ' ' LYS . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.565 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -51.02 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 174.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.42 -146.78 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 71.36 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -130.52 137.54 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.944 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.7 p -152.59 158.14 42.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 179.05 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -109.68 92.76 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.29 147.77 17.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -173.63 178.63 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 -175.03 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.33 46.68 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 p -64.53 -173.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 164.67 10.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.31 106.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.08 123.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 177.37 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.13 77.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.14 54.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.32 9.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 56.34 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -143.81 69.88 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.87 94.14 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -48.36 125.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.99 -42.16 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 31.6 m-85 -103.21 115.72 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -97.56 23.24 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -159.42 35.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -142.74 59.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 96' ' ' LEU . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 42' ' ' MET . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.977 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.761 ' CG ' HD12 ' A' ' 28' ' ' ILE . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' HD23 ' A' ' 44' ' ' LEU . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 24' ' ' LEU . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' CB ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' HA ' HG12 ' A' ' 84' ' ' VAL . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.651 HG21 HD12 ' A' ' 56' ' ' LEU . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.656 ' OG1' ' CD2' ' A' ' 62' ' ' HIS . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.656 ' CD2' ' OG1' ' A' ' 61' ' ' THR . 23.4 m-70 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.695 HD12 ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.584 ' CH2' HD22 ' A' ' 56' ' ' LEU . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG3' HD22 ' A' ' 56' ' ' LEU . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CA ' HD11 ' A' ' 114' ' ' LEU . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 97' ' ' ILE . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.615 ' CE3' HD13 ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 HG22 ' A' ' 93' ' ' VAL . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.713 ' CD1' HD13 ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.588 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.812 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 91' ' ' LEU . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.23 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.76 154.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.91 -165.2 38.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t -176.47 144.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 147.0 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -170.82 160.48 6.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -133.58 128.51 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.59 167.89 37.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -170.73 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.56 95.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.65 124.67 3.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -141.95 159.88 41.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.797 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.14 74.32 0.18 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.28 131.76 28.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.55 118.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 86.11 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.49 64.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 58.71 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p -163.05 149.15 10.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 75.44 3.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -79.49 60.11 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.62 94.66 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' PHE . 3.0 mt -45.68 124.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -57.1 14.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 20.2 m-85 -111.77 127.28 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.81 29.9 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -167.58 39.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -138.85 57.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 64' ' ' VAL . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD12 ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.774 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HE3' HG23 ' A' ' 100' ' ' ILE . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 24' ' ' LEU . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.949 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.55 ' O ' HG21 ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 59' ' ' SER . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.7 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.758 HD12 ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 96' ' ' LEU . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.858 ' O ' HD22 ' A' ' 114' ' ' LEU . 12.9 m120 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 9.2 mm100 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 57' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.758 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 64' ' ' VAL . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.474 HG23 ' HE3' ' A' ' 48' ' ' LYS . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 99' ' ' CYS . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt -88.7 -60.86 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER 60.91 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.69 -167.98 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m 54.79 81.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 p -109.29 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -167.9 141.45 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -136.93 162.65 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.18 143.46 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.05 144.19 31.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.43 123.62 48.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 85.95 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -113.72 143.72 44.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.74 152.0 1.44 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.09 -91.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.72 131.09 56.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 ttp -178.98 111.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 -68.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.37 -52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t -56.65 110.18 2.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -85.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -131.61 53.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 95.68 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 49' ' ' GLY . 3.0 mt -47.87 116.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -77.57 -56.02 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 82.0 m-85 -92.64 60.56 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 29.6 pt20 -80.16 47.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.37 -49.22 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -103.21 167.22 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 51' ' ' ARG . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 52' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.848 HD12 ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.848 ' HG3' HD12 ' A' ' 28' ' ' ILE . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' N ' HH21 ' A' ' 46' ' ' ARG . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH21 ' N ' ' A' ' 43' ' ' GLU . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 26' ' ' VAL . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD23 ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 88' ' ' PRO . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 59' ' ' SER . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.792 HD12 ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.781 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.781 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.597 HG12 HD12 ' A' ' 77' ' ' LEU . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.495 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' A' ' 82' ' ' VAL . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.885 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.792 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' ' 114' ' ' LEU . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CD2' HD13 ' A' ' 91' ' ' LEU . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.721 ' SG ' HG22 ' A' ' 106' ' ' VAL . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.452 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.721 HG22 ' SG ' ' A' ' 99' ' ' CYS . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.441 ' SD ' HD21 ' A' ' 91' ' ' LEU . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -93.02 -57.89 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.62 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.55 -141.26 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.53 36.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -54.58 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m 48.8 77.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG22 ' HD2' ' A' ' 51' ' ' ARG . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.846 HD12 ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.846 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HA ' ' NH1' ' A' ' 46' ' ' ARG . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.576 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HE3' HG23 ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' HD2' HG22 ' A' ' 25' ' ' VAL . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.689 HD22 ' CH2' ' A' ' 76' ' ' TRP . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 56' ' ' LEU . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' SER . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 96' ' ' LEU . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.576 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 32' ' ' LYS . 41.9 m-20 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.633 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.648 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.57 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.636 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 106' ' ' VAL . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.674 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 59' ' ' SER . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.922 HD12 ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.922 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD22 ' HE ' ' A' ' 47' ' ' ARG . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.877 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.739 HG11 ' CB ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.721 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG21 HD12 ' A' ' 56' ' ' LEU . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.53 ' CG2' HG13 ' A' ' 26' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.628 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 82' ' ' VAL . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.639 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.644 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.831 ' CD2' HD13 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 26' ' ' VAL . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HB3' HG11 ' A' ' 106' ' ' VAL . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.877 HG23 ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' A' ' 99' ' ' CYS . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.683 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.85 HD12 ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 28' ' ' ILE . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.85 ' HG3' HD12 ' A' ' 28' ' ' ILE . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 100' ' ' ILE . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' CB ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.641 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.75 ' O ' HG23 ' A' ' 61' ' ' THR . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 56' ' ' LEU . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 59' ' ' SER . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CE1' HD22 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.581 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 58.8 mm-40 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.874 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 84' ' ' VAL . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.751 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.702 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 28' ' ' ILE . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 48' ' ' LYS . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 107' ' ' GLU . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.751 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 96' ' ' LEU . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD12 ' CG ' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 41' ' ' LEU . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.63 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' ' 100' ' ' ILE . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 45' ' ' ALA . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.903 HD23 ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 61' ' ' THR . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' SER . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.758 ' CE1' HD22 ' A' ' 24' ' ' LEU . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' HD22 ' A' ' 56' ' ' LEU . 71.7 mm-40 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.903 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 84' ' ' VAL . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 97' ' ' ILE . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CD1' HG23 ' A' ' 106' ' ' VAL . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 93' ' ' VAL . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.567 HG23 ' HE3' ' A' ' 48' ' ' LYS . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.557 HG23 ' HG3' ' A' ' 107' ' ' GLU . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 3.5 mt-30 -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 59' ' ' SER . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG13 HG23 ' A' ' 64' ' ' VAL . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.403 ' HD2' HG23 ' A' ' 63' ' ' ILE . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.833 HD12 ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.833 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HE2' HG23 ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 45' ' ' ALA . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.671 HD23 ' CG1' ' A' ' 82' ' ' VAL . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.671 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 HD12 ' A' ' 56' ' ' LEU . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.721 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.8 m80 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 26' ' ' VAL . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.704 ' HA ' HD23 ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.618 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.566 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 27.6 mm-40 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.671 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.508 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' HG23 ' A' ' 106' ' ' VAL . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.798 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' A' ' 106' ' ' VAL . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' A' ' 99' ' ' CYS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.417 ' HG2' HD22 ' A' ' 91' ' ' LEU . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.707 HD12 ' C ' ' A' ' 90' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 64' ' ' VAL . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.807 HD12 ' HG3' ' A' ' 42' ' ' MET . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.807 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 24' ' ' LEU . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.762 HG11 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 61' ' ' THR . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 56' ' ' LEU . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 59' ' ' SER . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.68 ' CE1' HD22 ' A' ' 24' ' ' LEU . 16.7 m80 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 HG13 ' A' ' 26' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.519 ' HB ' HD13 ' A' ' 90' ' ' LEU . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' A' ' 56' ' ' LEU . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 82' ' ' VAL . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.588 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CD2' HD13 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 28' ' ' ILE . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.486 ' SD ' HD21 ' A' ' 91' ' ' LEU . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.697 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.598 HG13 HG23 ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HG3' ' A' ' 42' ' ' MET . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.824 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HE3' HG23 ' A' ' 100' ' ' ILE . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 24' ' ' LEU . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.738 HG11 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.687 ' HA ' HG12 ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.724 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 56' ' ' LEU . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.697 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.1 m80 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 26' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB1' ' CG ' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.602 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' HG3' HD22 ' A' ' 56' ' ' LEU . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 82' ' ' VAL . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.977 ' OE2' HD11 ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.977 HD11 ' OE2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' CA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 97' ' ' ILE . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.527 ' CD2' HD13 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.491 HG13 HG22 ' A' ' 93' ' ' VAL . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.59 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.456 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.865 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG11 HD23 ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.819 HD12 ' CG ' ' A' ' 42' ' ' MET . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' LEU . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.819 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HE3' HG23 ' A' ' 100' ' ' ILE . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 24' ' ' LEU . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.658 HG11 ' CB ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.927 ' HB3' HG11 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.617 ' O ' HG21 ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.577 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 45.4 m-80 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' HG12 ' A' ' 82' ' ' VAL . 22.4 mm-40 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.927 HG11 ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.832 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.712 ' CD1' HG23 ' A' ' 106' ' ' VAL . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.54 HD23 HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 106' ' ' VAL . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' HE3' ' A' ' 48' ' ' LYS . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.712 HG23 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 96' ' ' LEU . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.438 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.844 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.772 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.8 m120 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.681 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 59' ' ' SER . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.693 ' HE1' HD22 ' A' ' 24' ' ' LEU . 13.2 m80 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.782 HD12 ' HG2' ' A' ' 88' ' ' PRO . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.641 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.641 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 27.7 mm-40 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.743 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 89' ' ' GLU . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.704 ' HA ' HD21 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.505 ' HA ' HG13 ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CD1' HG23 ' A' ' 106' ' ' VAL . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.686 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 106' ' ' VAL . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 99' ' ' CYS . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.3 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG13 HG23 ' A' ' 64' ' ' VAL . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HD1' HG23 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.699 HD12 ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.983 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 44' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.624 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 45' ' ' ALA . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.884 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 61' ' ' THR . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 56' ' ' LEU . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 59' ' ' SER . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.69 ' HE1' HD22 ' A' ' 24' ' ' LEU . 21.6 m80 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 26' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.417 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 39.6 m-80 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.69 ' HA ' HD23 ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 57' ' ' SER . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.884 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 84' ' ' VAL . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.687 ' C ' HD13 ' A' ' 90' ' ' LEU . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.687 HD13 ' C ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.719 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.532 ' HA ' HD11 ' A' ' 114' ' ' LEU . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.689 ' CD2' HD13 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.81 ' SG ' HG22 ' A' ' 106' ' ' VAL . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.624 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.81 HG22 ' SG ' ' A' ' 99' ' ' CYS . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.719 ' SD ' HD21 ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.648 ' HG2' HD23 ' A' ' 91' ' ' LEU . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.716 HG22 ' CD ' ' A' ' 51' ' ' ARG . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 96' ' ' LEU . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HD3' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 28' ' ' ILE . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD11 ' HD3' ' A' ' 37' ' ' ARG . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CD1' HD12 ' A' ' 24' ' ' LEU . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.716 ' CD ' HG22 ' A' ' 25' ' ' VAL . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.92 HD23 ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.712 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 56' ' ' LEU . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.695 ' HE1' HD22 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.502 ' O ' HD22 ' A' ' 114' ' ' LEU . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' HD23 ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG3' HD22 ' A' ' 56' ' ' LEU . 63.8 mm-40 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.92 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.645 ' C ' HD23 ' A' ' 90' ' ' LEU . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 HG13 ' A' ' 97' ' ' ILE . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.629 ' CD1' HG23 ' A' ' 106' ' ' VAL . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.557 ' CD2' HG11 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 106' ' ' VAL . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' HE2' ' A' ' 48' ' ' LYS . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 99' ' ' CYS . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 107' ' ' GLU . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.843 HG22 ' HD3' ' A' ' 51' ' ' ARG . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.937 ' HG2' HD12 ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.649 ' CG ' HG13 ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.843 ' HD3' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG13 ' CG ' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD12 ' H ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.585 ' H ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.753 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.765 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 59' ' ' SER . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.69 ' CE1' HD22 ' A' ' 24' ' ' LEU . 6.6 m80 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.61 HD12 ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.549 HG23 HG13 ' A' ' 26' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.767 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.767 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 56' ' ' LEU . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 84' ' ' VAL . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' HD13 ' A' ' 90' ' ' LEU . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.806 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD11 ' A' ' 114' ' ' LEU . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.481 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 28' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 99' ' ' CYS . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 109' ' ' THR . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 91' ' ' LEU . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 107' ' ' GLU . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 90' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HG23 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.939 HD12 ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.939 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HG23 ' A' ' 100' ' ' ILE . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 52' ' ' VAL . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 45' ' ' ALA . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.749 ' O ' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD22 ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.682 ' HA ' HG12 ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' SER . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 26' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.768 ' O ' HD22 ' A' ' 114' ' ' LEU . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 42.5 mm-40 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 70' ' ' GLY . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.613 ' HA ' HD21 ' A' ' 114' ' ' LEU . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 97' ' ' ILE . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.527 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 93' ' ' VAL . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.506 HG23 ' CE ' ' A' ' 48' ' ' LYS . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 68' ' ' ASN . 3.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 59' ' ' SER . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 96' ' ' LEU . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.79 HD12 ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.981 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.79 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HG23 ' A' ' 100' ' ' ILE . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' A' ' 45' ' ' ALA . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.907 HD13 ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 61' ' ' THR . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 59' ' ' SER . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 96' ' ' LEU . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.589 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.53 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG11 HD22 ' A' ' 90' ' ' LEU . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.907 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.838 HD22 HG11 ' A' ' 73' ' ' VAL . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 114' ' ' LEU . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CD1' HG23 ' A' ' 106' ' ' VAL . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.614 HD22 HG21 ' A' ' 64' ' ' VAL . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.449 HG23 ' HE3' ' A' ' 48' ' ' LYS . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.561 HG23 ' CD1' ' A' ' 95' ' ' TRP . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 91' ' ' LEU . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.867 HG22 ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.919 HD11 ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.69 ' CG ' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' HG23 ' A' ' 100' ' ' ILE . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.746 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.867 ' HD3' HG22 ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.661 HG11 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 60' ' ' VAL . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 61' ' ' THR . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 56' ' ' LEU . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 59' ' ' SER . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.816 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.867 ' O ' HD22 ' A' ' 114' ' ' LEU . 3.4 m-80 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.659 HG12 HD12 ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CH2' HD22 ' A' ' 56' ' ' LEU . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 92.6 mm-40 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 108' ' ' MET . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.535 ' HA ' HD21 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HG3' ' A' ' 66' ' ' GLU . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.919 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.539 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.92 ' HG3' HG23 ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.55 ' HG2' HD22 ' A' ' 91' ' ' LEU . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.92 HG23 ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 68' ' ' ASN . 6.4 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.882 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE3' HG23 ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 24' ' ' LEU . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HD3' HG22 ' A' ' 25' ' ' VAL . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 ' CB ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD22 ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.774 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.484 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.764 ' CE1' HD22 ' A' ' 24' ' ' LEU . 14.8 m80 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.935 ' O ' HD22 ' A' ' 114' ' ' LEU . 11.1 m-80 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 76' ' ' TRP . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.646 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 48.2 mm-40 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HD3' ' A' ' 88' ' ' PRO . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.909 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' A' ' 73' ' ' VAL . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 97' ' ' ILE . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.644 ' CD1' HG23 ' A' ' 106' ' ' VAL . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 93' ' ' VAL . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' HE3' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.675 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 96' ' ' LEU . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 42' ' ' MET . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.876 ' HG3' HD12 ' A' ' 28' ' ' ILE . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 100' ' ' ILE . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' CB ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD22 ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 82' ' ' VAL . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 56' ' ' LEU . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.675 ' HE1' HD22 ' A' ' 24' ' ' LEU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.725 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 96' ' ' LEU . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.553 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.638 ' HB ' HD13 ' A' ' 90' ' ' LEU . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.722 ' HG3' HD22 ' A' ' 56' ' ' LEU . 37.7 mm-40 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 57' ' ' SER . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.725 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.058 ' C ' HD13 ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.058 HD13 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.57 ' N ' HD11 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.509 ' HA ' HG13 ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.717 ' CD1' HG23 ' A' ' 106' ' ' VAL . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 106' ' ' VAL . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.479 HG23 ' HE3' ' A' ' 48' ' ' LYS . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' HD11 ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.565 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 96' ' ' LEU . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 42' ' ' MET . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.977 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.761 ' CG ' HD12 ' A' ' 28' ' ' ILE . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' HD23 ' A' ' 44' ' ' LEU . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 24' ' ' LEU . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' CB ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' HA ' HG12 ' A' ' 84' ' ' VAL . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.651 HG21 HD12 ' A' ' 56' ' ' LEU . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' SER . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.705 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.7 m80 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.695 HD12 ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.584 ' CH2' HD22 ' A' ' 56' ' ' LEU . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG3' HD22 ' A' ' 56' ' ' LEU . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CA ' HD11 ' A' ' 114' ' ' LEU . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 97' ' ' ILE . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.615 ' CE3' HD13 ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 HG22 ' A' ' 93' ' ' VAL . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.713 ' CD1' HD13 ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.588 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.812 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 91' ' ' LEU . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 64' ' ' VAL . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD12 ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.774 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HE3' HG23 ' A' ' 100' ' ' ILE . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 24' ' ' LEU . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.949 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.55 ' O ' HG21 ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 59' ' ' SER . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.7 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.758 HD12 ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 96' ' ' LEU . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.858 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.1 m-20 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 33.1 mm-40 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 57' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.758 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 64' ' ' VAL . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.474 HG23 ' HE3' ' A' ' 48' ' ' LYS . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 99' ' ' CYS . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 51' ' ' ARG . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 52' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.848 HD12 ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.848 ' HG3' HD12 ' A' ' 28' ' ' ILE . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' N ' HH21 ' A' ' 46' ' ' ARG . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH21 ' N ' ' A' ' 43' ' ' GLU . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 26' ' ' VAL . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD23 ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 88' ' ' PRO . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 59' ' ' SER . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.792 HD12 ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.781 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.781 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.597 HG12 HD12 ' A' ' 77' ' ' LEU . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.495 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' A' ' 82' ' ' VAL . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.885 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.792 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' ' 114' ' ' LEU . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CD2' HD13 ' A' ' 91' ' ' LEU . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.721 ' SG ' HG22 ' A' ' 106' ' ' VAL . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.452 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.721 HG22 ' SG ' ' A' ' 99' ' ' CYS . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.441 ' SD ' HD21 ' A' ' 91' ' ' LEU . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -174.4 156.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -169.91 162.87 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.77 177.0 38.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -148.17 -59.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 63.39 164.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.72 29.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.5 p -135.54 175.91 9.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.25 151.0 6.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.7 140.27 9.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.64 121.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.51 170.34 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.04 81.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 t 42.43 75.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 75.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -179.46 58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.41 95.15 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 49' ' ' GLY . 3.5 mt -47.5 121.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.15 -58.9 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 105' ' ' PRO . 23.4 m-85 -109.79 125.63 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -96.86 31.49 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.232 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -167.08 39.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -137.95 58.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG22 ' HD2' ' A' ' 51' ' ' ARG . 3.9 t -75.19 115.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 96' ' ' LEU . 92.8 t -108.36 127.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -117.96 111.18 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.846 HD12 ' HG3' ' A' ' 42' ' ' MET . 20.7 mt -82.05 138.47 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.5 124.2 43.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 4.9 tm-20 -61.85 -49.72 75.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.73 125.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 68' ' ' ASN . 5.6 mttp 67.04 55.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 49.8 ttm -179.67 -72.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 126.49 -167.85 18.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -90.26 -54.99 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.5 m -38.68 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 mtt85 -55.51 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 55.5 ttt-85 -39.67 -55.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -66.87 -43.21 84.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -56.06 -73.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 37' ' ' ARG . 94.9 mt -43.09 -47.91 6.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.846 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.4 mtp -55.49 -39.29 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HA ' ' NH1' ' A' ' 46' ' ' ARG . 4.3 tt0 -76.23 -36.61 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 40' ' ' LEU . 1.3 mt -62.3 -46.5 88.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.576 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -57.93 -51.56 69.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.9 mtm105 -50.45 -48.97 56.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.75 -33.37 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HE3' HG23 ' A' ' 100' ' ' ILE . 73.7 mmtt -70.42 -26.38 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 122.86 -3.11 9.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.118 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 5.5 m-85 -68.03 157.33 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' HD2' HG22 ' A' ' 25' ' ' VAL . 1.9 ttm105 -101.99 79.81 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.7 t -80.52 152.94 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -130.92 138.86 49.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -74.78 -33.21 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.0 149.72 43.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD22 ' CH2' ' A' ' 76' ' ' TRP . 49.4 tp -64.01 148.47 49.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -156.83 171.11 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.8 p-10 -69.55 -12.45 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -83.0 -19.37 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 HD12 ' A' ' 56' ' ' LEU . 55.7 t -61.67 114.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' SER . 60.2 p -107.69 -18.57 13.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 24' ' ' LEU . 18.9 m80 -141.23 125.75 17.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.648 HD12 ' HG2' ' A' ' 88' ' ' PRO . 76.3 mt -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 96' ' ' LEU . 53.0 t -95.11 143.26 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -153.94 122.51 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.576 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -91.02 132.24 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER 75.2 -57.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 32' ' ' LYS . 41.9 m-20 -44.66 144.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -99.27 158.34 15.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.91 -32.17 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.5 p -69.72 -52.61 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.66 -49.12 65.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.72 -43.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.1 mt -56.65 -63.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.67 -37.86 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 32.3 t90 -70.39 -42.87 71.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.45 -52.26 39.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.45 -28.98 69.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -32.59 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' CD ' ' CE2' ' A' ' 76' ' ' TRP . 38.2 mm-40 -56.77 162.41 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -113.06 -10.08 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.633 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -74.37 140.94 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -97.31 127.59 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.37 137.74 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.25 -30.05 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -147.34 113.87 5.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.23 130.49 1.01 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.648 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.26 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.57 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.7 mm-40 -84.68 138.44 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.1 mt -109.07 114.34 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -136.56 155.3 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.636 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.7 t0 -75.63 155.55 35.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 66' ' ' GLU . 5.4 m -46.27 -32.28 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.16 -28.58 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.674 ' CD1' HG23 ' A' ' 106' ' ' VAL . 49.0 t90 -77.19 -53.8 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.25 -42.49 86.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.51 -43.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.1 mt-10 -74.4 -52.5 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.0 m -41.62 -30.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE3' ' A' ' 48' ' ' LYS . 77.1 mt -75.75 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.36 -17.2 11.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.73 -17.4 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.43 13.23 21.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -149.19 165.28 18.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.674 HG23 ' CD1' ' A' ' 95' ' ' TRP . 8.1 m -42.31 157.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.7 pt-20 -72.38 149.1 44.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -105.53 90.92 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 107' ' ' GLU . 28.9 p -84.31 -10.44 57.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 130.68 -52.75 0.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.1 -37.84 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 27.5 m170 -70.7 -39.49 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 58.1 mt-30 -66.69 142.95 57.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -80.0 -56.54 4.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 158.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -155.69 164.67 32.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.71 4.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.37 125.31 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 -58.76 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -156.56 121.12 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -144.01 132.51 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.06 130.95 1.39 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -167.99 149.47 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -143.19 155.87 44.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 140.4 2.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.6 m -153.05 141.04 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.388 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 106.4 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -176.19 160.03 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -153.91 60.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.5 86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -178.52 -38.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.34 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m 73.49 149.1 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.54 5.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.09 55.92 2.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.63 95.87 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.8 mp -63.37 155.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -74.73 -49.59 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 31.8 m-85 -83.16 -43.52 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 59.43 14.69 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.99 21.65 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -138.27 131.24 29.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 59' ' ' SER . 21.4 t -135.08 96.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG13 ' CG2' ' A' ' 64' ' ' VAL . 84.0 t -88.12 129.35 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 85.1 t80 -123.21 110.0 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.922 HD12 ' HG3' ' A' ' 42' ' ' MET . 86.3 mt -78.97 144.0 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' GLU . 25.2 tp -100.89 98.88 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 5.0 tm-20 -37.66 -46.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.93 128.38 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? 68.57 48.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.0 ttm -179.07 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.8 -167.14 16.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -89.17 -57.02 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.4 m -39.86 -70.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -52.46 -61.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 49.6 ttt180 -39.0 -59.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.97 -48.25 80.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -51.38 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -43.25 -44.26 5.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.922 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.7 mtm -57.92 -43.89 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.73 -38.83 80.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD22 ' HE ' ' A' ' 47' ' ' ARG . 3.8 mt -56.51 -45.4 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -60.69 -50.79 72.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -44.26 -41.21 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -60.56 -36.16 77.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.877 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.6 mmtt -71.37 -27.44 63.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.54 43.1 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.3 m-85 -119.07 114.61 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 4.8 ttt-85 -59.28 83.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.739 HG11 ' CB ' ' A' ' 42' ' ' MET . 86.5 t -79.9 151.74 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.94 144.62 51.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m-20 -82.74 -28.35 30.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -127.03 148.78 50.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.695 HD23 ' CG1' ' A' ' 82' ' ' VAL . 55.2 tp -56.95 155.44 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.36 155.17 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.721 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -56.9 -17.92 11.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.3 m -77.04 -16.21 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG21 HD12 ' A' ' 56' ' ' LEU . 49.8 t -68.59 117.17 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 p -108.67 -21.01 12.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 14.5 m80 -137.89 121.51 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 ' HG2' ' A' ' 88' ' ' PRO . 68.2 mt -107.4 125.79 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.53 ' CG2' HG13 ' A' ' 26' ' ' VAL . 21.4 t -101.44 142.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.78 139.58 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.55 124.13 49.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 62.67 46.23 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -143.6 140.0 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.2 m -93.34 153.77 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 114' ' ' LEU . . . -46.29 -30.9 4.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 p -71.73 -38.9 70.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.1 m-20 -64.64 -46.44 82.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.9 -38.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LEU . 7.6 mt -61.25 -62.23 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.09 -39.08 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.628 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.2 t90 -68.06 -40.55 82.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.62 -55.86 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -59.47 -31.93 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.56 82.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.597 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 23.8 mm-40 -48.81 159.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -111.7 -2.08 15.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.6 p -82.96 167.75 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 82' ' ' VAL . 6.5 pt20 -119.87 130.52 54.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.721 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.96 138.72 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -29.23 57.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.5 p -149.84 119.67 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -40.71 128.84 1.88 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.639 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 167.96 25.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.644 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.7 mm-40 -80.95 138.39 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.0 mt -106.69 102.5 11.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -126.12 159.46 32.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -88.2 161.63 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -45.89 -25.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 92' ' ' ASP . 2.9 t -51.76 -58.69 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.831 ' CD2' HD13 ' A' ' 91' ' ' LEU . 25.1 t90 -42.15 -60.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 26' ' ' VAL . 6.2 tp -48.42 -58.06 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mt -42.31 -51.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HB3' HG11 ' A' ' 106' ' ' VAL . 2.6 mm-40 -68.5 -48.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 106' ' ' VAL . 72.2 m -48.35 -26.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.877 HG23 ' HE2' ' A' ' 48' ' ' LYS . 82.9 mt -84.27 -57.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.51 -13.14 36.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -105.39 -8.17 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.73 20.74 8.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.0 ptpt -158.49 168.27 12.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.92 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' A' ' 99' ' ' CYS . 9.6 m -47.75 165.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.61 144.02 32.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 91' ' ' LEU . 3.4 mpp? -103.09 85.8 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.2 p -72.77 -42.7 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 157.58 -40.05 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.13 -32.26 61.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -72.96 -39.29 66.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 78.8 mt-30 -67.6 128.63 37.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.683 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? -41.09 -69.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.2 t 178.69 153.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.051 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -115.16 169.43 12.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.89 28.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -147.57 -60.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m 43.96 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -143.58 153.03 42.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.63 96.7 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.58 66.1 2.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -101.6 170.17 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 109.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.25 142.97 7.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -119.89 140.87 50.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.46 -122.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.76 107.19 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tt -47.05 -62.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 tpt 51.62 91.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.5 84.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -164.34 85.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -120.45 125.34 27.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.61 57.11 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.32 94.43 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.3 mp -62.24 156.14 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -92.1 -49.43 6.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -78.84 -50.19 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER 76.38 -53.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.92 39.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.36 62.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 59' ' ' SER . 2.7 t -77.0 123.51 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.19 128.55 74.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -121.95 118.96 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.85 HD12 ' HG3' ' A' ' 42' ' ' MET . 77.7 mt -84.18 148.63 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 tp -103.43 103.67 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -42.93 -47.85 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 133.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 68' ' ' ASN . 6.4 mttt 56.91 54.65 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm -179.57 -70.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.27 -166.08 13.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.2 m -89.62 -55.93 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 m -38.67 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -61.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 28' ' ' ILE . 20.2 ttt-85 -39.88 -58.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -51.09 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.5 mm? -47.18 -49.98 21.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.85 ' HG3' HD12 ' A' ' 28' ' ' ILE . 3.8 mtm -53.83 -43.59 69.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.82 -37.72 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.2 mt -59.39 -45.96 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.64 -49.99 75.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -42.85 -48.94 5.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -36.4 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 100' ' ' ILE . 55.0 mmtt -69.08 -26.22 64.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 115.0 21.25 5.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 32.8 m-85 -95.13 122.88 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -69.8 79.24 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG11 ' CB ' ' A' ' 42' ' ' MET . 89.0 t -79.95 145.13 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -122.77 145.11 48.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.232 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -71.34 -42.0 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -121.5 154.09 37.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 ' CG1' ' A' ' 82' ' ' VAL . 17.7 tp -54.14 158.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -165.44 174.18 10.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.641 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -73.51 -10.81 60.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.75 ' O ' HG23 ' A' ' 61' ' ' THR . 0.1 OUTLIER -88.51 -20.73 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.952 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 56' ' ' LEU . 71.9 t -60.52 111.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 59' ' ' SER . 69.0 p -109.04 -12.34 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CE1' HD22 ' A' ' 24' ' ' LEU . 15.2 m80 -144.63 125.08 13.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 88' ' ' PRO . 47.0 mt -111.26 131.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 50.7 t -105.3 138.97 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -144.23 143.84 31.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -112.9 127.14 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 60.04 35.34 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 15.3 m-80 -133.62 138.81 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.1 m -92.88 151.91 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.46 -36.21 1.46 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -65.14 -45.77 83.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' SER . 7.6 m-20 -56.51 -50.37 72.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 21.8 t -65.55 -43.4 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 8.8 mt -56.5 -61.66 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -46.17 -38.94 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.581 ' CE2' ' NE2' ' A' ' 80' ' ' GLN . 30.2 t90 -69.85 -40.03 76.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -52.11 -54.72 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -57.77 -31.35 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.16 -35.66 81.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 58.8 mm-40 -57.98 132.83 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.2 tttt -92.95 3.91 54.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.874 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.7 p -91.65 117.76 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -78.22 95.11 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.9 p -68.67 150.46 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.1 p -61.44 -19.46 62.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 84' ' ' VAL . 30.4 t -179.64 150.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.49 121.04 30.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.97 123.82 29.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.751 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -89.51 111.15 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -128.69 165.5 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -94.33 159.29 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.8 p -47.98 -25.92 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 m -52.88 -57.27 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.702 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.5 t90 -45.68 -47.82 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 28' ' ' ILE . 6.6 tp -56.5 -61.49 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -42.38 -39.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 102' ' ' ALA . 48.5 mt-10 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 58.8 m -41.79 -29.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 48' ' ' LYS . 85.2 mt -75.8 -58.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.78 -13.05 58.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.34 -32.42 10.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.8 13.7 83.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -152.95 165.12 18.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.2 Cg_endo -75.04 86.04 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.6 m -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.9 pt-20 -49.68 153.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 15.9 mtm -101.62 103.18 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 107' ' ' GLU . 18.1 p -96.1 -168.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.53 3.85 76.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.599 1.187 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.2 -60.64 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -45.93 -45.29 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -68.87 121.44 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.751 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -42.02 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 93.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.9 160.59 24.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.28 39.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 155.39 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -78.04 112.91 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -49.89 159.92 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 0.792 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -178.65 117.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.04 72.23 0.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.74 154.19 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -77.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.09 77.98 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.6 m -110.16 115.26 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.1 81.49 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.88 137.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.65 -65.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -169.72 165.31 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.11 88.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -179.3 147.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -114.4 96.38 42.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.09 3.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -117.93 63.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.98 94.86 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -80.05 153.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -53.02 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 105' ' ' PRO . 81.4 m-85 -96.13 -43.51 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER 66.21 153.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 50.13 22.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -126.67 52.7 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 59' ' ' SER . 11.3 t -74.71 112.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 96' ' ' LEU . 77.6 t -101.27 121.98 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 76.2 t80 -116.66 111.63 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD12 ' CG ' ' A' ' 42' ' ' MET . 16.6 mt -83.43 139.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 tp -93.51 124.56 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' LYS . 28.4 tt0 -58.88 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' GLU . 16.0 mtmt -39.63 131.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 61.96 51.93 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.4 tpp -177.72 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 117.29 -160.64 13.48 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.7 m -89.98 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -43.49 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.09 -57.73 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 38.0 ttt-85 -42.94 -59.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -58.96 -51.02 71.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -45.31 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 41' ' ' LEU . 3.9 mm? -44.65 -54.35 6.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.63 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.9 mtp -51.32 -36.55 43.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' ALA . 4.8 tt0 -77.75 -35.51 51.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.2 mt -63.04 -45.54 91.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.9 -50.83 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -50.03 -42.55 49.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -58.57 -17.02 18.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' ' 100' ' ' ILE . 18.7 mmtt -92.66 -7.21 47.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.06 -6.17 53.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 8.8 m-85 -65.98 138.36 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.8 ttt180 -85.33 81.88 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 45' ' ' ALA . 36.8 t -79.7 147.22 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 5.8 mm-40 -125.73 124.88 42.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -62.1 -43.03 99.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -115.04 147.98 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.903 HD23 ' CG1' ' A' ' 82' ' ' VAL . 14.1 tp -57.87 155.11 11.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 178.4 8.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -78.28 0.13 26.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 61' ' ' THR . 71.0 m -98.49 -15.94 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.94 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.93 113.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' SER . 18.1 p -112.92 -8.93 13.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.758 ' CE1' HD22 ' A' ' 24' ' ' LEU . 25.6 m80 -147.24 121.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.0 mt -108.9 135.73 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 96.7 t -111.22 138.77 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.31 154.39 43.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -123.33 129.91 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 60.26 31.86 20.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -132.33 147.67 52.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' ASP . 2.2 p -102.07 151.83 21.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.8 -33.83 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.8 m -68.49 -46.8 68.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' SER . 33.0 m-20 -56.08 -48.34 76.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.3 t -66.32 -42.84 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . 8.7 mt -55.56 -61.28 2.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -44.89 -41.59 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.443 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.7 t90 -67.61 -40.54 84.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 108.009 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -53.31 -50.32 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.43 -32.32 72.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.86 -37.92 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG3' HD22 ' A' ' 56' ' ' LEU . 71.7 mm-40 -56.5 138.77 51.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 43.0 tttt -99.64 5.86 45.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.903 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.6 p -90.73 119.18 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -77.41 97.44 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.9 p -71.36 152.66 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -68.47 -7.43 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 84' ' ' VAL . 4.5 t 168.02 147.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.32 122.73 38.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 169.94 21.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 122.16 32.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -88.72 113.1 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -131.74 155.36 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -82.04 155.23 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 97' ' ' ILE . 12.5 p -48.0 -24.68 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -53.27 -41.04 65.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CD1' HG23 ' A' ' 106' ' ' VAL . 66.7 t90 -65.34 -57.62 7.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.012 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.58 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 93' ' ' VAL . 79.9 mt -54.04 -48.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.2 mm-40 -68.33 -42.96 78.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 56.6 m -51.62 -26.65 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.327 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.567 HG23 ' HE3' ' A' ' 48' ' ' LYS . 96.3 mt -84.17 -63.88 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.37 -17.5 12.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.21 -17.56 18.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.82 29.98 68.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -171.76 167.07 3.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 21' ' ' PHE . 18.1 Cg_endo -75.03 90.19 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 95' ' ' TRP . 7.8 m -49.53 171.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -83.18 155.99 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.2 mtm -96.47 91.08 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.557 HG23 ' HG3' ' A' ' 107' ' ' GLU . 13.0 p -85.28 10.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 93.44 -54.36 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HE3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -46.68 -27.0 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' ' HE3' ' A' ' 111' ' ' LYS . 46.4 m170 -71.22 -44.63 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' GLY . 3.5 mt-30 -71.79 126.78 30.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -40.85 -64.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.95 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.21 167.69 39.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.02 27.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -107.22 -10.19 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.4 p -140.55 163.84 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m 63.52 149.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -178.71 161.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.954 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.11 179.99 47.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.95 163.78 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -60.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.28 161.05 37.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 m -147.73 141.38 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.76 140.76 12.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.14 129.87 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.86 101.2 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.37 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.01 -63.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.61 -63.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.63 81.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 66.82 5.95 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.77 59.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.24 94.56 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 22' ' ' GLN . 1.8 mt -42.76 137.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -63.32 -57.13 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 16.3 m-85 -83.92 -53.29 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 19' ' ' ILE . 3.1 mt-30 82.54 -61.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -88.62 44.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.79 62.49 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 59' ' ' SER . 3.5 t -76.27 119.32 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG13 HG23 ' A' ' 64' ' ' VAL . 60.6 t -111.68 126.57 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.403 ' HD2' HG23 ' A' ' 63' ' ' ILE . 76.1 t80 -119.1 111.39 18.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.833 HD12 ' HG3' ' A' ' 42' ' ' MET . 29.7 mt -80.92 144.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -103.47 119.69 39.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -56.52 -47.32 79.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.5 mptt -37.92 127.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 62.28 56.52 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.1 ttm -178.95 -70.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.35 -163.53 14.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 m -90.13 -53.65 4.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.1 m -41.7 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.4 mtt180 -53.62 -61.65 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 52.1 ttt-85 -38.46 -57.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.94 -52.96 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -47.3 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -42.36 -55.42 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.833 ' HG3' HD12 ' A' ' 28' ' ' ILE . 12.8 mtp -48.05 -41.14 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.81 -37.23 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -45.66 93.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -61.06 -42.13 97.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.89 -45.83 82.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mtp85 -57.1 -21.01 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HE2' HG23 ' A' ' 100' ' ' ILE . 15.4 mmtm -85.54 -18.6 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 115.91 -14.4 16.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 15.6 m-85 -59.26 134.21 56.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.988 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.0 ttm-85 -81.33 79.82 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 45' ' ' ALA . 11.9 t -79.12 150.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.6 141.08 51.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.453 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.3 m120 -75.1 -30.05 60.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -126.18 150.87 48.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.671 HD23 ' CG1' ' A' ' 82' ' ' VAL . 44.4 tp -62.68 156.29 23.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.42 169.31 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.671 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -70.2 -7.98 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.77 -18.68 28.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 HD12 ' A' ' 56' ' ' LEU . 53.0 t -62.25 116.31 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -113.18 -6.68 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.721 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.8 m80 -150.79 121.95 7.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 71.9 mt -111.43 121.46 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 26' ' ' VAL . 72.4 t -94.12 141.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -153.81 122.13 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -90.05 130.84 36.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' ASN . 1.5 t-20 75.53 -60.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.513 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -36.34 140.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' GLY . 9.6 m -94.32 156.02 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -34.16 -65.45 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.704 ' HA ' HD23 ' A' ' 74' ' ' LEU . 2.2 p -48.8 -53.79 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.7 -33.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.9 t -92.28 -30.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -69.34 -49.64 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mt-10 -56.15 -42.2 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.618 ' CH2' HD22 ' A' ' 56' ' ' LEU . 33.7 t90 -63.77 -43.46 96.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.93 -50.91 25.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -69.75 -27.79 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.98 -30.66 69.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.566 ' OE1' ' CZ2' ' A' ' 76' ' ' TRP . 27.6 mm-40 -53.81 157.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -107.76 -6.61 16.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.671 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -77.08 165.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 82' ' ' VAL . 8.8 pt20 -114.53 126.22 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -116.93 114.07 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.09 -26.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 84' ' ' VAL . 8.2 t -141.37 -145.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -131.93 126.94 20.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.04 159.12 41.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' C ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm-40 -79.65 140.27 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 114' ' ' LEU . 4.6 mt -111.35 108.78 18.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.508 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.33 162.65 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -84.55 154.49 22.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 66' ' ' GLU . 14.7 m -44.33 -33.09 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.54 -28.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' HG23 ' A' ' 106' ' ' VAL . 43.8 t90 -73.48 -47.02 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.798 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.8 tp -62.07 -52.29 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.8 mt -48.44 -38.48 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.7 mt-10 -80.53 -51.08 9.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' A' ' 106' ' ' VAL . 52.0 m -48.18 -33.31 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.582 HG23 ' HE2' ' A' ' 48' ' ' LYS . 97.1 mt -71.93 -68.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.85 -17.4 9.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.2 -17.48 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.33 15.41 23.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.6 pttt -150.83 163.61 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.5 Cg_endo -74.98 81.83 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' A' ' 99' ' ' CYS . 15.5 m -41.22 160.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 1.5 pt-20 -79.97 146.41 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.417 ' HG2' HD22 ' A' ' 91' ' ' LEU . 6.2 mtt -87.57 111.2 20.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.1 p -115.84 35.13 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.65 -63.31 3.6 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.32 -54.95 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 43.2 m170 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.3 156.11 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.707 HD12 ' C ' ' A' ' 90' ' ' LEU . 1.5 mt -92.74 -64.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.35 178.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.83 -176.16 28.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -56.09 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.0 m -133.23 155.47 49.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.71 156.14 39.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.88 126.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.37 135.91 8.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -174.55 112.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.65 167.58 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.54 40.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -46.97 173.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.64 154.22 8.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -77.88 -161.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -142.27 -59.93 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 56.7 161.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.67 98.96 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.22 74.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.05 165.89 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 67.62 5.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.0 65.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.01 94.49 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -46.48 123.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -90.83 -55.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 27.8 m-85 -90.91 118.6 30.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.52 32.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -171.17 41.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.38 56.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 59' ' ' SER . 3.9 t -75.36 114.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 64' ' ' VAL . 75.9 t -106.46 130.57 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -125.22 111.85 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.807 HD12 ' HG3' ' A' ' 42' ' ' MET . 56.2 mt -80.27 145.11 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.6 tp -101.28 101.04 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 4.3 tm-20 -43.08 -49.42 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.0 121.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 73.46 50.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -179.12 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.82 -166.98 16.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 m -90.18 -50.99 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -44.66 -69.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -53.81 -58.61 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 44.4 ttt180 -43.3 -58.59 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.34 -57.28 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -42.51 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.807 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.3 mtm -48.37 -47.79 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.6 tt0 -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 40' ' ' LEU . 7.1 mt -57.02 -42.02 79.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.65 -45.17 81.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.8 mtp180 -56.37 -44.59 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.04 -19.41 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 7.5 mmtt -89.58 -25.51 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 116.09 20.93 5.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' A' ' 24' ' ' LEU . 31.5 m-85 -93.32 143.47 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.757 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.8 ttm180 -87.84 80.85 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.762 HG11 ' CB ' ' A' ' 42' ' ' MET . 26.0 t -79.96 152.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -130.16 145.24 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.32 -34.43 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.75 151.24 40.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.9 tp -59.38 155.76 14.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 p -168.88 155.95 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -55.83 -19.43 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 61' ' ' THR . 3.7 m -74.6 -21.25 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 56' ' ' LEU . 56.1 t -62.96 115.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 59' ' ' SER . 32.0 p -110.38 -17.18 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.68 ' CE1' HD22 ' A' ' 24' ' ' LEU . 16.7 m80 -139.79 121.84 15.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 88' ' ' PRO . 49.6 mt -109.46 120.14 60.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 HG13 ' A' ' 26' ' ' VAL . 44.7 t -95.06 144.88 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -161.26 135.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 64.1 tt0 -106.93 140.13 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 60.76 36.48 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -135.26 148.75 49.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' ASP . 1.2 p -104.36 144.88 31.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -41.89 -27.75 0.4 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' SER . 87.3 p -73.58 -45.44 53.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -59.63 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.519 ' HB ' HD13 ' A' ' 90' ' ' LEU . 42.5 t -58.49 -33.86 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' LEU . 5.3 mt -63.27 -62.35 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -45.87 -39.67 8.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.538 ' CH2' HD22 ' A' ' 56' ' ' LEU . 36.4 t90 -68.41 -41.56 80.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -52.84 -53.25 51.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.21 -30.38 71.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.1 77.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.487 ' NE2' ' CE2' ' A' ' 76' ' ' TRP . 45.4 mm-40 -51.9 157.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -110.32 -4.73 15.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.7 p -80.79 163.93 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 82' ' ' VAL . 7.9 pt20 -112.33 129.59 56.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -117.82 127.68 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -154.09 125.31 7.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -44.5 130.69 4.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 165.28 31.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.588 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.3 mm-40 -80.54 137.72 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.5 mt -104.88 106.16 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -126.55 168.05 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.31 162.15 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 10.5 p -51.39 -26.92 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -52.64 -57.17 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CD2' HD13 ' A' ' 91' ' ' LEU . 47.2 t90 -44.21 -47.23 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 28' ' ' ILE . 6.7 tp -57.1 -61.69 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.4 mt -42.64 -39.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' ALA . 62.6 mt-10 -73.72 -52.84 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 96.1 m -52.4 -25.69 10.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 96.4 mt -80.42 -62.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.7 -15.94 43.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.09 -27.16 13.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.49 15.56 73.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -154.65 164.31 21.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG22 ' SG ' ' A' ' 99' ' ' CYS . 30.0 m -48.56 162.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.0 pt-20 -63.43 153.19 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.486 ' SD ' HD21 ' A' ' 91' ' ' LEU . 23.1 mtm -101.24 58.9 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.8 p -38.51 -64.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 168.48 -37.79 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -64.2 -13.2 47.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 49.5 m170 -81.15 -32.9 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' LEU . 1.3 mt-30 -79.7 127.23 31.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.6 mm? -40.03 -58.77 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.48 167.72 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.86 -151.57 6.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 150.4 38.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.3 p -177.65 145.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t 67.0 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.2 99.82 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -175.24 161.94 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.34 108.37 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -169.3 92.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.32 160.48 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 65.08 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 m -125.0 143.36 50.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.58 146.97 17.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.27 70.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 121.05 37.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.39 120.57 25.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 158.23 35.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.61 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p -137.94 149.66 64.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 61.5 5.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -122.64 107.2 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 170.45 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.86 132.47 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.79 -47.99 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -91.96 110.31 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -91.71 33.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -173.18 43.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.697 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -147.67 63.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 59' ' ' SER . 3.0 t -81.62 118.66 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.598 HG13 HG23 ' A' ' 64' ' ' VAL . 85.2 t -111.05 123.87 67.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -116.75 111.94 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HG3' ' A' ' 42' ' ' MET . 57.6 mt -80.46 140.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' VAL . 17.2 tp -98.71 108.37 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CA ' ' HD2' ' A' ' 38' ' ' ARG . 3.7 tm-20 -49.42 -43.96 44.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.59 130.74 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp 62.4 51.82 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.1 ttm -179.42 -72.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 128.8 -171.25 19.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 m -89.61 -51.28 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.1 m -42.72 -70.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -55.22 33.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HD2' ' CA ' ' A' ' 30' ' ' GLU . 38.5 ttt180 -43.37 -60.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -58.96 -52.74 64.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -44.38 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.41 -54.83 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.824 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.2 mtm -47.5 -42.7 23.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.04 -37.85 75.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -58.99 -46.59 87.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -49.33 77.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 mtp180 -47.97 -48.2 32.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -52.39 -24.8 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HE3' HG23 ' A' ' 100' ' ' ILE . 52.5 mmtt -81.64 -26.4 34.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 128.08 -28.81 4.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 24' ' ' LEU . 35.2 m-85 -45.63 149.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -96.8 83.85 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.738 HG11 ' CB ' ' A' ' 42' ' ' MET . 46.4 t -79.33 150.63 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -132.09 142.35 49.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.78 -25.57 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -126.64 150.07 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 82' ' ' VAL . 57.4 tp -60.54 156.08 17.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.36 166.62 14.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.687 ' HA ' HG12 ' A' ' 84' ' ' VAL . 2.4 p-10 -67.13 -11.01 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.724 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -83.79 -20.3 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 56' ' ' LEU . 77.8 t -63.04 109.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 59' ' ' SER . 22.5 p -108.59 -6.34 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.697 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.1 m80 -151.45 128.02 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' A' ' 88' ' ' PRO . 40.1 mt -112.28 124.52 69.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 26' ' ' VAL . 54.8 t -102.11 140.26 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.602 ' HB1' ' CG ' ' A' ' 68' ' ' ASN . . . -153.61 158.27 40.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 30.6 tt0 -126.18 133.46 51.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 61.1 44.09 10.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.602 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -139.81 153.67 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.1 m -103.82 141.84 35.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -42.98 -34.74 2.07 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.4 p -70.18 -42.47 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER -60.06 -48.13 82.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 22.0 t -64.11 -42.65 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 7.4 mt -55.93 -61.12 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.38 -40.75 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 23.5 t90 -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.2 -54.23 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -63.91 -30.75 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -63.95 -31.56 72.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' HG3' HD22 ' A' ' 56' ' ' LEU . 32.4 mm-40 -57.14 171.56 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -122.25 4.29 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD23 ' A' ' 56' ' ' LEU . 7.2 p -92.07 162.1 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 82' ' ' VAL . 13.6 pt20 -114.5 132.21 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.89 134.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 t -65.23 -34.43 78.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -145.83 115.59 7.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -40.41 128.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 151.91 40.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.977 ' OE2' HD11 ' A' ' 91' ' ' LEU . 8.2 pt-20 -78.0 138.67 38.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -102.49 112.31 24.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD11 ' OE2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -133.84 162.02 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' CA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -81.02 161.72 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 97' ' ' ILE . 7.2 p -52.52 -21.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 95' ' ' TRP . 4.8 p -52.08 -62.25 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' CD2' HD13 ' A' ' 91' ' ' LEU . 57.0 t90 -45.35 -50.92 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 107.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -56.01 -52.81 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.491 HG13 HG22 ' A' ' 93' ' ' VAL . 64.5 mt -52.4 -42.55 38.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 102' ' ' ALA . 43.6 mt-10 -69.23 -47.99 63.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 67.5 m -54.53 -24.22 19.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.59 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.1 mt -78.44 -65.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.99 -10.9 42.17 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -101.04 -28.88 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.9 28.58 73.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -170.98 164.63 5.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.456 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.5 Cg_endo -74.94 87.62 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.4 m -49.6 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.8 pt-20 -82.41 166.72 19.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.469 ' CE ' ' OE1' ' A' ' 89' ' ' GLU . 23.9 mtm -113.19 110.5 20.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.3 p -103.58 14.53 30.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.17 -49.98 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -25.16 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 54.9 m170 -76.55 -41.22 47.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -77.15 121.35 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -44.16 -64.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 p -175.66 166.8 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.53 -171.64 36.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.23 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -59.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -125.72 161.03 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.04 108.07 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.07 161.38 24.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.31 163.43 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -153.01 146.66 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.14 123.17 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -138.29 149.46 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.22 108.51 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.26 122.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.97 138.17 31.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.39 -56.07 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -76.69 69.25 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t 41.14 80.71 0.27 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.71 4.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.9 60.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.69 93.76 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG22 ' H ' ' A' ' 22' ' ' GLN . 3.9 mt -45.54 126.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.58 -61.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 2.6 m-85 -85.64 -51.48 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.638 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.3 OUTLIER 76.48 -54.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.48 37.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.865 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -139.45 62.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 59' ' ' SER . 20.8 t -77.97 119.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG11 HD23 ' A' ' 96' ' ' LEU . 95.1 t -111.07 129.21 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -123.94 111.66 16.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.819 HD12 ' CG ' ' A' ' 42' ' ' MET . 96.7 mt -78.36 145.61 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.36 103.92 14.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 1.8 tm-20 -40.83 -47.44 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.05 132.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? 60.35 51.33 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 40.9 ttm -179.04 -69.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 121.74 -168.14 14.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 m -87.36 -55.28 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 0.792 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.2 m -41.78 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.45 -61.21 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 54' ' ' ASN . 33.6 ttt-85 -42.05 -60.83 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.04 79.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.54 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' LEU . 67.2 mt -44.53 -44.16 8.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.819 ' CG ' HD12 ' A' ' 28' ' ' ILE . 7.6 mtm -58.41 -43.78 88.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.63 -38.16 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mt -57.57 -46.58 83.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.69 -48.73 80.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.81 -47.78 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -55.09 -21.14 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HE3' HG23 ' A' ' 100' ' ' ILE . 71.1 mmtt -86.89 -23.13 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 117.75 4.37 15.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 24' ' ' LEU . 9.3 m-85 -77.07 131.13 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -78.76 80.36 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.658 HG11 ' CB ' ' A' ' 42' ' ' MET . 58.5 t -79.51 155.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' SD ' ' A' ' 42' ' ' MET . 23.4 mm-40 -131.46 152.49 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 1.7 m120 -91.2 -6.19 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -154.0 148.01 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.927 ' HB3' HG11 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -56.52 136.06 54.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 p -147.63 159.73 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -15.32 21.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.617 ' O ' HG21 ' A' ' 25' ' ' VAL . 9.2 m -83.46 -12.71 56.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.66 116.18 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 62.9 p -108.51 -19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CE1' HD22 ' A' ' 24' ' ' LEU . 9.6 m80 -138.32 126.12 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HG2' ' A' ' 88' ' ' PRO . 45.2 mt -113.57 130.33 67.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 71.8 t -103.08 141.25 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -148.62 121.09 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.577 ' HB2' HG11 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -90.47 126.68 35.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 60.54 46.7 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 45.4 m-80 -144.65 135.93 25.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.1 m -90.08 151.32 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.72 -35.85 1.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.5 p -66.26 -45.73 79.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 0.731 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.1 OUTLIER -56.41 -49.77 73.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 90' ' ' LEU . 25.7 t -64.97 -46.35 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.92 -61.65 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -43.21 -41.26 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 56' ' ' LEU . 20.2 t90 -71.82 -46.84 56.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 107.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -47.89 -59.22 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -57.1 -29.66 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -71.67 -36.84 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' HG12 ' A' ' 82' ' ' VAL . 22.4 mm-40 -68.74 147.84 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.81 -22.08 21.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.927 HG11 ' HB3' ' A' ' 56' ' ' LEU . 2.6 p -43.24 108.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.02 119.65 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.24 116.58 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.1 t -46.8 -34.9 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.0 m -153.83 125.84 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 2.3 tt0 -38.31 130.92 1.02 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.832 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.0 173.03 15.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.429 1.752 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 120.28 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -88.09 113.21 23.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -130.59 166.22 21.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -91.89 154.43 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 66' ' ' GLU . 3.5 m -47.09 -36.54 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -47.07 -27.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.712 ' CD1' HG23 ' A' ' 106' ' ' VAL . 65.2 t90 -77.54 -49.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.54 HD23 HG11 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -58.91 -37.2 76.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.15 -50.17 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.6 mt-10 -66.83 -45.87 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 106' ' ' VAL . 4.6 m -48.45 -28.09 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.529 HG23 ' HE3' ' A' ' 48' ' ' LYS . 72.9 mt -80.65 -64.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.74 -17.94 10.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.44 -18.33 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.39 20.55 58.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 2.9 pttt -159.54 168.9 11.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.55 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.97 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.712 HG23 ' CD1' ' A' ' 95' ' ' TRP . 5.2 m -40.86 159.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 3.2 pt-20 -74.23 153.52 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 5.6 mtt -96.03 100.88 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 111' ' ' LYS . 40.4 p -100.98 30.61 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 80.84 -55.4 4.75 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.498 ' CG ' ' OG1' ' A' ' 109' ' ' THR . 0.0 OUTLIER -43.64 -43.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 32.2 m170 -63.23 -40.55 97.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.641 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 110' ' ' GLY . 2.5 mm-40 -77.52 131.44 37.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -52.99 -66.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 60.07 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -123.51 -177.47 15.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 38.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -100.65 116.51 32.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.058 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 t -141.8 106.89 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.25 163.72 30.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -166.73 166.01 16.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.36 122.43 2.3 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.23 103.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 133.26 44.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.88 133.77 3.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -129.4 126.79 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.96 -93.77 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.75 67.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 46.03 60.67 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.8 ptm -177.14 154.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 -59.18 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 p -162.22 95.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -168.72 81.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -96.34 52.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.66 95.22 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -49.98 135.9 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -53.2 -56.1 19.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 4.5 m-85 -113.41 121.97 45.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -92.51 25.21 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -163.31 37.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -134.6 58.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 59' ' ' SER . 6.1 t -75.38 116.25 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 96' ' ' LEU . 71.7 t -110.66 123.36 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -117.41 115.04 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 42' ' ' MET . 27.3 mt -81.25 147.28 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 31' ' ' LYS . 49.7 tp -108.74 113.22 26.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.665 ' O ' ' C ' ' A' ' 31' ' ' LYS . 5.1 tm-20 -50.33 -57.57 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER 15.7 -118.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.48 67.63 5.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.438 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 2.4 tpp -156.67 -68.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 112.82 169.5 17.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' THR . 23.2 m -61.41 -58.9 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' THR . 92.5 m -38.88 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB3' ' CG ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -54.51 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.6 ttt-85 -40.29 -58.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.86 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.51 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.56 -55.55 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.844 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.2 mtp -49.8 -39.39 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.72 -36.98 65.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.7 mt -61.96 -47.06 86.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.772 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -58.05 -45.46 86.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.3 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -59.17 -21.63 59.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 100' ' ' ILE . 70.8 mmtt -82.38 -26.06 33.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.38 0.36 14.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.1 m-85 -70.92 159.73 34.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -100.44 77.18 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' ' 45' ' ' ALA . 16.2 t -80.17 154.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -125.97 168.07 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.473 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 1.8 m120 -107.85 -17.18 14.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -136.77 145.76 44.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -66.59 122.95 18.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.681 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.5 m -131.32 179.11 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.34 -10.62 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -85.64 -13.96 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 63' ' ' ILE . 53.1 t -69.75 116.95 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 59' ' ' SER . 43.4 p -107.22 -18.95 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.693 ' HE1' HD22 ' A' ' 24' ' ' LEU . 13.2 m80 -139.16 125.38 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.782 HD12 ' HG2' ' A' ' 88' ' ' PRO . 38.3 mt -112.74 121.72 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' A' ' 93' ' ' VAL . 86.4 t -94.23 141.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.7 152.74 34.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 25.0 tt0 -128.65 142.23 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 57.77 22.82 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.2 m-80 -131.45 145.24 51.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.3 m -97.69 147.85 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.941 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.57 -29.58 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' SER . 14.9 p -72.02 -49.6 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' SER . 22.3 m-20 -55.95 -38.44 70.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.31 -38.26 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.9 mt -61.17 -63.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.6 -39.67 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.641 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 12.3 t90 -68.65 -43.94 75.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -46.47 -51.99 14.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.68 -28.99 66.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.69 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.641 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 27.7 mm-40 -55.92 173.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -111.72 -3.07 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 56' ' ' LEU . 1.9 m -87.24 154.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.39 134.16 55.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -115.61 120.63 65.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.52 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.953 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' GLN . 1.2 m -142.05 108.11 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.9 tt0 -34.97 129.57 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.07 173.92 13.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.743 ' C ' HD23 ' A' ' 90' ' ' LEU . 5.1 mm-40 -86.85 137.52 32.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 89' ' ' GLU . 2.7 mt -108.25 105.52 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.07 159.55 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.704 ' HA ' HD21 ' A' ' 114' ' ' LEU . 4.8 t0 -75.25 165.65 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.505 ' HA ' HG13 ' A' ' 64' ' ' VAL . 9.3 p -58.97 -16.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -53.79 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CD1' HG23 ' A' ' 106' ' ' VAL . 36.4 t90 -43.64 -53.23 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.686 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.7 tp -54.12 -61.53 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' LEU . 54.5 mt -39.78 -46.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.5 mm-40 -72.25 -44.64 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 106' ' ' VAL . 78.7 m -55.29 -30.83 60.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' HE3' ' A' ' 48' ' ' LYS . 87.0 mt -74.88 -67.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.3 -16.56 15.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -97.86 -19.22 18.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.93 19.02 42.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -155.66 163.97 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.4 Cg_endo -74.96 84.25 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 99' ' ' CYS . 18.6 m -45.18 157.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 2.4 pt-20 -72.88 146.07 46.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -103.16 101.36 11.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.9 p -89.78 -46.34 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.86 -54.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -50.53 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 18.3 m170 -55.03 -47.91 74.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.69 136.41 56.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.3 mt -73.99 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 173.72 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.5 -156.03 10.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -109.77 158.44 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 p -79.72 -58.51 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.13 82.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.35 157.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.14 101.39 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.8 113.85 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.48 82.42 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 107.15 3.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -125.63 157.01 38.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.4 74.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.36 42.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -110.93 124.98 53.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -60.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -90.59 124.44 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.7 147.71 16.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' ILE . 1.2 pt20 -169.62 164.41 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.27 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 51' ' ' ARG . 4.3 mt -56.9 124.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -61.62 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 4.9 m-85 -99.43 127.96 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASP . 41.3 mt-30 -80.91 151.66 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' GLN . 57.5 m-20 39.99 57.82 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -141.26 55.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' SER . 4.5 t -80.68 109.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG13 HG23 ' A' ' 64' ' ' VAL . 74.1 t -99.47 118.17 45.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HD1' HG23 ' A' ' 63' ' ' ILE . 17.3 t80 -109.21 111.89 23.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.699 HD12 ' HG3' ' A' ' 42' ' ' MET . 5.3 mt -80.34 134.56 27.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 tp -94.03 121.95 36.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 2.2 tm-20 -58.49 -48.21 81.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -37.29 128.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 67' ' ' ASN . 14.2 mttp 63.71 53.31 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.92 -70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.96 -159.78 14.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -89.57 -58.53 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 m -41.9 -70.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 mtt-85 -51.5 -62.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 49.0 ttt-85 -37.93 -58.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.83 -54.83 40.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.34 -71.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.983 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -40.63 -59.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.699 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.2 mtp -44.82 -40.47 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 44' ' ' LEU . 3.0 tt0 -70.84 -39.53 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.2 mt -61.28 -42.16 98.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -66.35 -39.23 89.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -57.06 -41.01 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -53.32 -34.37 57.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.624 ' CE ' HG23 ' A' ' 100' ' ' ILE . 18.0 mmtt -72.86 -19.05 61.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.79 10.14 33.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 9.6 m-85 -74.51 136.55 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 19' ' ' ILE . 2.9 ttt180 -77.15 76.17 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 45' ' ' ALA . 22.7 t -79.6 147.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 6.7 mm-40 -128.41 159.15 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.99 -49.1 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -105.44 152.88 22.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.2 tp -61.15 165.33 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 82' ' ' VAL . 0.8 OUTLIER 179.25 171.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.884 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -65.24 -24.54 67.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 61' ' ' THR . 2.0 m -69.69 -31.14 69.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 56' ' ' LEU . 74.2 t -56.61 111.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 59' ' ' SER . 52.1 p -111.04 -11.33 14.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.69 ' HE1' HD22 ' A' ' 24' ' ' LEU . 21.6 m80 -148.48 122.94 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 88' ' ' PRO . 66.5 mt -109.01 121.09 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 26' ' ' VAL . 61.3 t -95.08 139.98 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.16 160.62 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -131.57 128.43 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 35.2 m-20 64.36 35.56 9.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' ND2' ' HD3' ' A' ' 32' ' ' LYS . 39.6 m-80 -139.13 129.43 25.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASP . 15.2 m -80.27 152.65 28.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -36.3 -50.19 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.69 ' HA ' HD23 ' A' ' 74' ' ' LEU . 6.5 p -56.79 -49.12 76.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.99 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' SER . 8.4 m-20 -48.74 -30.49 5.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.1 t -94.52 -30.04 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -70.53 -48.36 55.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.82 -41.56 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.599 ' CZ2' ' CD ' ' A' ' 80' ' ' GLN . 23.8 t90 -65.23 -40.65 94.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 107.97 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.0 -53.93 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -61.98 -27.63 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.17 -24.55 63.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.599 ' CD ' ' CZ2' ' A' ' 76' ' ' TRP . 59.5 mm-40 -69.36 151.62 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -103.66 -9.06 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 57' ' ' SER . 56.8 t -76.22 116.14 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -78.1 103.54 8.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.884 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.8 p -82.88 148.84 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -71.01 -9.18 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 84' ' ' VAL . 34.6 t 177.98 129.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -44.16 125.17 4.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 166.23 29.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.687 ' C ' HD13 ' A' ' 90' ' ' LEU . 4.1 mm-40 -89.0 135.39 33.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.687 HD13 ' C ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -103.9 111.92 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.3 OUTLIER -123.49 155.82 36.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.532 ' HA ' HD11 ' A' ' 114' ' ' LEU . 3.2 t0 -75.61 147.64 39.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 p -42.2 -28.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 92' ' ' ASP . 10.5 m -50.12 -53.1 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.689 ' CD2' HD13 ' A' ' 91' ' ' LEU . 40.7 t90 -44.47 -52.23 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.65 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.6 tp -54.41 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -40.63 -46.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.7 mt-10 -71.45 -46.71 59.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.81 ' SG ' HG22 ' A' ' 106' ' ' VAL . 71.0 m -54.73 -23.21 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.624 HG23 ' CE ' ' A' ' 48' ' ' LYS . 86.4 mt -85.53 -59.91 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.88 -15.79 43.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.56 -24.62 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.83 20.2 74.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.54 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -160.33 169.26 10.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 21' ' ' PHE . 18.2 Cg_endo -75.03 83.33 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.81 HG22 ' SG ' ' A' ' 99' ' ' CYS . 20.4 m -44.37 161.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 4.2 pt-20 -74.23 162.5 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.719 ' SD ' HD21 ' A' ' 91' ' ' LEU . 39.3 mtm -107.63 91.1 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 p -79.52 3.4 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.376 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 103.9 -51.5 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -30.29 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 50.7 m170 -67.41 -37.23 82.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.648 ' HG2' HD23 ' A' ' 91' ' ' LEU . 93.6 mt-30 -75.35 125.84 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.681 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.5 mm? -40.67 -66.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.2 p 55.66 178.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.5 47.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.45 36.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.1 p -156.07 114.61 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.24 114.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -147.71 83.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 m -119.65 134.07 55.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.42 121.89 1.36 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.82 161.12 40.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -178.09 144.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.41 118.33 0.47 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -156.83 147.78 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 61.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.46 171.37 16.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.18 71.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.39 163.22 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 170.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.52 88.89 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.45 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.41 58.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.96 94.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 51' ' ' ARG . 18.8 mt -43.53 137.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -38.97 -58.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 40.4 m-85 -89.36 -49.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.612 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.4 OUTLIER 70.08 156.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.97 26.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -130.21 57.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.716 HG22 ' CD ' ' A' ' 51' ' ' ARG . 13.4 t -76.07 117.43 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 96' ' ' LEU . 87.2 t -108.99 123.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -119.27 115.78 24.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 ' HG3' ' A' ' 42' ' ' MET . 90.2 mt -82.14 149.37 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 tp -102.01 101.41 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -40.46 -50.26 2.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.27 129.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mttt 63.65 52.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 1.7 tpp -178.34 -68.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.64 -166.05 12.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -89.77 -33.28 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.0 m -62.9 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HD3' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -53.69 -48.52 69.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HA ' HG21 ' A' ' 28' ' ' ILE . 13.7 ttt-85 -53.27 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -56.1 -45.24 79.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -53.36 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD11 ' HD3' ' A' ' 37' ' ' ARG . 17.1 mt -45.11 -38.99 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.904 ' HG3' HD12 ' A' ' 28' ' ' ILE . 6.4 mtm -65.0 -42.64 94.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ALA . 6.4 tt0 -70.08 -34.12 72.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -61.37 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.23 94.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -48.03 -49.18 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -27.99 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.7 mmtt -77.5 -25.92 50.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 110.34 14.23 13.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 13.9 m-85 -79.54 146.66 32.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.716 ' CD ' HG22 ' A' ' 25' ' ' VAL . 3.1 ttt-85 -83.51 78.21 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 42' ' ' MET . 43.2 t -79.68 145.08 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -130.35 145.94 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -76.89 -43.49 35.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -120.52 153.05 37.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.92 HD23 ' CG1' ' A' ' 82' ' ' VAL . 13.4 tp -55.88 155.55 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -161.16 174.86 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.712 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -75.56 -3.01 31.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 5.6 m -96.59 -18.38 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 56' ' ' LEU . 70.5 t -62.98 115.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 72.3 p -111.88 -16.32 13.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.695 ' HE1' HD22 ' A' ' 24' ' ' LEU . 25.8 m80 -140.84 121.72 14.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.4 mt -108.05 127.91 63.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 93' ' ' VAL . 83.9 t -100.68 140.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -143.34 144.5 32.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -119.8 129.65 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 61.2 24.12 14.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.502 ' O ' HD22 ' A' ' 114' ' ' LEU . 19.1 m-80 -125.27 136.92 54.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLY . 10.4 m -86.34 154.19 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.19 -52.76 1.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' HD23 ' A' ' 74' ' ' LEU . 10.4 p -54.57 -55.92 24.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.18 -30.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' SER . 21.5 t -95.71 -35.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -64.49 -44.04 92.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' A' ' 76' ' ' TRP . 0.1 OUTLIER -66.92 -47.6 71.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 28.9 t90 -55.58 -37.99 68.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -56.64 -58.38 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.86 -29.04 54.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.62 -37.84 80.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG3' HD22 ' A' ' 56' ' ' LEU . 63.8 mm-40 -53.64 144.9 16.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.3 tttp -106.32 5.45 29.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.92 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.5 p -91.8 114.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.2 104.39 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG23 ' HA ' ' A' ' 58' ' ' ASP . 14.5 p -81.92 150.78 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -12.57 43.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.492 ' H ' HG22 ' A' ' 84' ' ' VAL . 0.3 OUTLIER 174.68 149.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -56.47 121.86 46.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 165.89 30.34 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.645 ' C ' HD23 ' A' ' 90' ' ' LEU . 6.2 mm-40 -80.1 140.53 36.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 89' ' ' GLU . 5.8 mt -111.51 109.81 19.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -135.08 157.44 46.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -76.32 155.32 34.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG22 HG13 ' A' ' 97' ' ' ILE . 14.4 p -47.35 -28.03 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -47.99 -41.37 25.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.629 ' CD1' HG23 ' A' ' 106' ' ' VAL . 48.7 t90 -61.95 -63.17 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.557 ' CD2' HG11 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -48.38 -46.65 37.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.1 -50.68 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 mm-40 -67.84 -40.2 83.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 106' ' ' VAL . 46.5 m -56.94 -23.63 46.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' HE2' ' A' ' 48' ' ' LYS . 79.3 mt -82.99 -60.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.9 -9.08 45.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -106.82 -0.8 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.78 36.79 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -173.51 159.29 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.546 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.97 84.79 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 99' ' ' CYS . 12.9 m -45.06 155.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 2.0 pt-20 -70.01 153.29 43.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.1 mtt -91.94 77.13 5.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 107' ' ' GLU . 39.6 p -65.12 -57.52 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.47 -59.72 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.62 -35.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 26.3 m170 -62.21 -52.62 63.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -56.75 144.99 30.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 92' ' ' ASP . 1.7 mt -85.0 -57.63 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t 61.2 156.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.81 165.93 6.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.8 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.4 t -156.46 142.88 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -159.47 94.24 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.3 164.66 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -154.86 171.08 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 173.59 41.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.88 166.77 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -178.3 166.87 1.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.33 119.22 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 p -54.35 -171.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.99 159.31 14.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.66 174.68 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.3 -178.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.39 148.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.81 54.53 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.41 174.61 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -143.0 74.16 18.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 61.43 5.71 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.461 1.769 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -116.39 76.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.92 92.75 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 20' ' ' LYS . 33.5 mm -78.55 161.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -76.6 -50.49 13.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 23.2 m-85 -90.24 -11.13 41.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' PHE . 28.4 mt-30 33.99 39.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' GLN . 10.9 m-20 169.01 47.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -148.54 58.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.843 HG22 ' HD3' ' A' ' 51' ' ' ARG . 2.9 t -75.42 115.16 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 64' ' ' VAL . 75.4 t -113.51 114.14 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -105.68 111.93 24.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.937 HD12 ' HG2' ' A' ' 42' ' ' MET . 6.4 mt -77.49 147.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.22 114.1 28.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -52.38 -50.72 61.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' GLU . 11.1 mttm -35.93 127.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 63.97 54.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.8 ttm -178.65 -68.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 118.98 -179.07 16.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -76.02 -56.49 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -53.07 -61.66 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 48.3 ttt-85 -38.75 -59.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.68 88.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -52.14 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.6 mt -46.6 -45.82 19.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.937 ' HG2' HD12 ' A' ' 28' ' ' ILE . 1.2 mtm -57.62 -41.39 81.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.77 -36.72 59.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.5 mt -61.33 -47.53 85.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -59.63 -53.96 52.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.649 ' CG ' HG13 ' A' ' 52' ' ' VAL . 4.3 mtt-85 -47.23 -44.29 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -57.15 -24.03 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HE2' HG23 ' A' ' 100' ' ' ILE . 18.2 mmtt -85.66 12.86 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' HA3' ' CE ' ' A' ' 20' ' ' LYS . . . 82.25 -7.85 62.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 99' ' ' CYS . 2.0 m-85 -64.37 167.39 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.843 ' HD3' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -114.91 116.85 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG13 ' CG ' ' A' ' 46' ' ' ARG . 1.6 m -128.35 156.98 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -133.69 154.53 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 4.5 m-80 -81.44 -34.62 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -121.17 148.44 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD12 ' H ' ' A' ' 57' ' ' SER . 32.5 tp -55.85 163.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.585 ' H ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -171.59 -179.28 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.753 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -77.79 -21.32 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.765 ' O ' HG23 ' A' ' 61' ' ' THR . 0.3 OUTLIER -76.22 -24.28 54.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.99 110.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 59' ' ' SER . 82.2 p -106.85 -16.85 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.69 ' CE1' HD22 ' A' ' 24' ' ' LEU . 6.6 m80 -143.02 129.3 19.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.61 HD12 ' HG2' ' A' ' 88' ' ' PRO . 77.5 mt -114.07 123.04 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.549 HG23 HG13 ' A' ' 26' ' ' VAL . 15.0 t -94.21 140.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.767 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -154.97 132.75 11.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 18.5 tt0 -108.15 134.09 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 70.01 9.13 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.767 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 1.9 m120 -107.74 151.96 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.9 m -106.62 145.1 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.28 -34.11 0.93 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.9 p -70.27 -44.72 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.055 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' SER . 62.8 m-20 -57.28 -51.98 67.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 44.3 t -58.98 -43.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -55.36 -63.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -46.45 -40.25 11.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 33.7 t90 -68.22 -41.35 81.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD21 HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -51.9 -52.63 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.4 -30.29 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.61 -34.58 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG3' HD22 ' A' ' 56' ' ' LEU . 46.7 mm-40 -57.85 143.25 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -94.73 0.95 55.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.8 t -87.8 119.89 36.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -84.71 91.25 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' A' ' 58' ' ' ASP . 12.9 p -67.22 150.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.4 p -66.04 -18.98 65.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.138 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 84' ' ' VAL . 3.2 t -173.15 147.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.94 122.05 39.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' HD13 ' A' ' 90' ' ' LEU . 3.1 mm-40 -82.85 138.89 33.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.806 ' HB3' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -104.7 107.25 18.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -125.34 161.54 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD11 ' A' ' 114' ' ' LEU . 23.1 t0 -85.13 164.63 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.481 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 8.9 p -59.07 -16.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -53.78 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CD2' HD13 ' A' ' 91' ' ' LEU . 43.3 t90 -44.26 -52.98 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD21 HD11 ' A' ' 28' ' ' ILE . 7.8 tp -52.33 -60.23 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 56.6 mt -39.78 -50.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.0 mm-40 -66.86 -47.77 70.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 75.5 m -52.48 -35.66 53.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' HE2' ' A' ' 48' ' ' LYS . 95.3 mt -68.97 -69.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.61 -18.78 8.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -94.75 -27.2 15.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 70.15 6.4 56.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -143.48 163.49 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.03 82.27 2.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 99' ' ' CYS . 29.8 m -45.46 149.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 109' ' ' THR . 4.4 pt-20 -53.99 159.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 91' ' ' LEU . 25.2 mtm -106.78 59.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 107' ' ' GLU . 74.5 p -38.38 -55.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 163.77 -45.05 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.0 -39.17 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 54.4 m170 -52.31 -41.24 62.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' LEU . 2.4 mt-30 -72.61 130.56 40.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 90' ' ' LEU . 1.7 mm? -39.07 -52.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.38 112.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.32 -141.93 1.19 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.24 33.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 m -83.47 -65.75 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.46 100.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -55.86 121.28 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -139.79 106.56 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -95.93 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.29 142.14 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.062 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -94.58 91.29 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.69 160.02 53.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -73.44 73.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.29 111.17 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.04 140.2 38.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -64.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.2 ttt 39.45 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.71 87.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -174.91 -56.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -82.99 137.76 43.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 56.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.24 62.27 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.87 94.56 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 51' ' ' ARG . 6.8 mt -46.52 127.45 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -38.92 -60.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 14.3 m-85 -84.92 -53.65 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.633 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.6 OUTLIER 74.63 7.06 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -140.29 24.36 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -133.33 131.96 40.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 42.0 t -136.31 100.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HG23 ' A' ' 64' ' ' VAL . 88.8 t -92.76 127.88 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CE2' ' CH2' ' A' ' 76' ' ' TRP . 63.4 t80 -123.32 111.16 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.939 HD12 ' HG3' ' A' ' 42' ' ' MET . 62.8 mt -81.57 138.53 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -97.34 107.05 19.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 7.8 tt0 -39.85 -56.32 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -39.22 132.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 67' ' ' ASN . 15.9 mttt 67.52 45.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.4 tpp -176.62 -68.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 123.02 -161.31 17.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -90.28 -64.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -37.79 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.46 22.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.1 ttt-85 -46.78 -62.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -51.58 69.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -46.16 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -42.36 -50.93 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.939 ' HG3' HD12 ' A' ' 28' ' ' ILE . 14.5 mtp -54.37 -39.18 66.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' LEU . 6.7 tt0 -74.2 -35.95 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -63.86 -44.31 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -56.6 -61.13 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -40.82 -51.67 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -48.58 -39.91 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HG23 ' A' ' 100' ' ' ILE . 16.8 mmtt -68.95 -28.05 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 21' ' ' PHE . . . 117.72 34.18 1.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 52' ' ' VAL . 61.9 m-85 -114.38 112.82 23.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.788 ' HB2' HD13 ' A' ' 19' ' ' ILE . 2.4 ttt180 -59.72 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 45' ' ' ALA . 45.0 t -85.27 147.41 5.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.44 152.22 40.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -39.64 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.26 145.61 38.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.749 ' O ' HG21 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -65.05 122.68 17.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD22 ' A' ' 56' ' ' LEU . 69.6 m -128.34 -179.46 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.682 ' HA ' HG12 ' A' ' 84' ' ' VAL . 1.2 t0 -76.14 -31.76 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -64.27 -18.12 64.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' CG1' HG13 ' A' ' 63' ' ' ILE . 44.5 t -63.53 113.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 59' ' ' SER . 37.1 p -107.16 -16.97 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 13.5 m80 -139.06 120.15 14.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 ' HG2' ' A' ' 88' ' ' PRO . 44.5 mt -109.92 122.37 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 26' ' ' VAL . 38.6 t -94.06 142.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.7 135.66 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.49 135.88 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER 70.39 -59.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.768 ' O ' HD22 ' A' ' 114' ' ' LEU . 80.7 m-20 -44.99 135.72 5.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' GLY . 67.0 m -94.75 157.7 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.32 -44.94 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -60.98 -55.64 30.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -46.77 -51.42 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.19 -44.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' LEU . 10.2 mt -52.44 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.16 -41.13 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CH2' ' CE2' ' A' ' 27' ' ' PHE . 16.0 t90 -68.37 -48.74 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -47.55 -49.58 26.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.84 -27.43 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.07 -36.37 74.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 42.5 mm-40 -67.95 146.21 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -79.54 -2.82 44.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -90.51 133.02 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -110.38 143.43 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -112.59 121.54 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -51.33 -33.27 28.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' GLN . 4.4 m -140.69 113.45 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.953 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' SER . 1.1 tt0 -36.84 128.07 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.831 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.06 166.04 29.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.798 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.57 115.79 20.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 70' ' ' GLY . 2.4 mp -87.01 108.75 18.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -133.44 159.12 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.613 ' HA ' HD21 ' A' ' 114' ' ' LEU . 32.1 t0 -80.71 164.46 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 97' ' ' ILE . 8.2 p -53.41 -22.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -52.1 -55.61 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 91' ' ' LEU . 30.2 t90 -48.92 -62.68 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.527 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -48.91 -50.74 33.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 93' ' ' VAL . 62.5 mt -49.72 -53.93 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.3 mm-40 -65.45 -46.89 78.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.455 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 88.7 m -47.61 -30.93 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.506 HG23 ' CE ' ' A' ' 48' ' ' LYS . 94.7 mt -75.86 -65.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.97 -17.13 15.03 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -99.89 -17.16 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.17 16.65 34.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.1 OUTLIER -154.53 163.64 23.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.561 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -75.04 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 95' ' ' TRP . 18.2 m -52.08 157.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 pt-20 -72.58 149.69 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 24.1 mtm -90.89 113.82 26.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 p -116.96 50.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 71.44 -63.31 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -59.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 47.4 m170 -47.06 -43.85 20.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 110' ' ' GLY . 15.7 mm-40 -67.03 150.23 49.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 68' ' ' ASN . 3.2 mt -87.65 -51.22 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.5 157.1 34.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.53 168.77 44.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.47 39.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.02 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.955 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.4 132.44 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -140.89 83.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -79.52 147.68 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -176.53 16.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -130.8 149.09 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.33 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 57.82 5.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -132.62 135.06 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.06 76.0 1.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.18 154.22 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -131.39 105.56 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 tpp -76.71 137.04 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.59 -61.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.72 170.5 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 158.74 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.51 5.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -142.32 59.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.62 94.06 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 51' ' ' ARG . 2.7 mt -46.58 121.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -62.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.39 122.84 29.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -102.0 149.99 23.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.44 26.04 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -134.01 123.49 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 59' ' ' SER . 82.6 t -136.26 96.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 96' ' ' LEU . 97.0 t -83.71 124.07 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.544 ' CE1' ' CH2' ' A' ' 76' ' ' TRP . 47.6 t80 -119.36 111.04 17.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.79 HD12 ' HG3' ' A' ' 42' ' ' MET . 9.3 mt -78.84 137.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 76' ' ' TRP . 11.4 tp -100.3 107.48 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.1 tm-20 -39.92 -54.01 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -36.08 122.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 71.92 53.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 tpp 177.78 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.13 -159.09 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 m -91.08 -52.06 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 m -46.19 -70.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -52.7 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.1 ttt180 -39.47 -57.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.8 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -44.54 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.981 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -41.31 -58.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.79 ' HG3' HD12 ' A' ' 28' ' ' ILE . 17.8 mtp -47.15 -39.51 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 44' ' ' LEU . 2.5 tt0 -71.84 -36.01 70.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mt -65.0 -42.77 94.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -62.13 -53.67 52.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' GLY . 42.7 mtp180 -47.15 -45.38 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -52.59 -23.34 6.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HG23 ' A' ' 100' ' ' ILE . 51.0 mmtt -85.95 -26.79 25.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 125.76 -25.44 5.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 59.9 m-85 -48.77 128.37 15.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HB2' HD13 ' A' ' 19' ' ' ILE . 4.7 ttm180 -75.29 81.36 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.767 HG21 ' HB3' ' A' ' 45' ' ' ALA . 20.4 t -79.66 148.08 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -125.83 156.95 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 13.5 m-80 -90.85 -31.17 16.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -125.27 154.18 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.907 HD13 ' HB ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -57.09 140.38 49.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' H ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -149.54 147.82 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.14 -20.3 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 61' ' ' THR . 48.8 m -76.72 -23.86 53.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 54.3 t -58.64 111.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 59' ' ' SER . 41.0 p -112.18 -9.74 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 25.1 m80 -142.99 114.65 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 88' ' ' PRO . 21.5 mt -104.35 125.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 96' ' ' LEU . 93.4 t -99.42 134.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -146.59 118.05 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' HG21 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -90.96 130.17 36.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 61.5 34.93 17.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.589 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 67.9 m-20 -136.26 121.65 19.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 16.7 m -72.82 175.18 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.53 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -54.64 -65.51 3.46 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 17.5 p -50.96 -43.07 60.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.79 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' SER . 1.2 m-20 -49.46 -32.24 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG11 HD22 ' A' ' 90' ' ' LEU . 75.4 t -81.91 -29.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.592 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -64.21 -62.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.38 -38.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 22.2 t90 -75.59 -42.08 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -50.57 -60.2 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.14 -28.79 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -69.8 -37.96 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 23.0 mm-40 -61.17 -43.71 98.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 mttt 71.96 6.81 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.907 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.4 t -72.1 122.81 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -75.4 122.26 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -122.14 112.56 35.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 1.8 m -39.51 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 84' ' ' VAL . 6.9 m -154.92 117.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 3.3 tt0 -36.64 133.91 0.63 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.761 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 160.05 40.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 119.93 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.838 HD22 HG11 ' A' ' 73' ' ' VAL . 14.1 mt -85.95 110.99 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD21 ' SD ' ' A' ' 108' ' ' MET . 0.5 OUTLIER -129.01 160.05 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 114' ' ' LEU . 9.0 t70 -84.92 153.24 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 66' ' ' GLU . 4.7 m -46.21 -28.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -37.16 42.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' CD1' HG23 ' A' ' 106' ' ' VAL . 39.8 t90 -65.14 -41.98 94.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.614 HD22 HG21 ' A' ' 64' ' ' VAL . 5.7 tp -64.94 -53.31 48.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.82 -41.85 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 102' ' ' ALA . 4.5 mt-10 -75.27 -49.93 17.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 20.4 m -49.84 -24.67 2.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG23 ' HE3' ' A' ' 48' ' ' LYS . 59.6 mt -84.46 -68.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.7 -16.44 11.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.19 -15.14 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 52.92 37.07 52.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -176.17 164.11 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 87.87 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.561 HG23 ' CD1' ' A' ' 95' ' ' TRP . 16.3 m -49.33 152.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.8 pt-20 -61.34 150.7 34.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 91' ' ' LEU . 30.9 mtm -102.86 68.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 107' ' ' GLU . 76.5 p -52.19 -28.55 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 133.5 -37.19 2.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -55.77 -41.76 74.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -56.58 -33.65 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -73.03 124.35 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.696 ' H ' HD22 ' A' ' 114' ' ' LEU . 1.3 mm? -39.17 -67.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.42 106.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.03 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.99 163.93 19.12 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.9 4.74 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.1 t 69.6 -69.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.9 m 62.83 151.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -176.9 155.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -78.56 85.31 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.31 -134.5 11.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -130.27 139.98 50.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.5 86.85 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.74 -177.75 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -34.72 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 157.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.58 -169.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.42 -64.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.0 173.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.97 160.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.94 84.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.053 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.33 77.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.74 4.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.88 61.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.89 94.19 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 51' ' ' ARG . 3.7 mt -48.08 127.29 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.96 -53.01 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' CE1' ' HD3' ' A' ' 105' ' ' PRO . 69.0 m-85 -96.48 120.81 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASP . 66.9 mt-30 -89.6 160.29 16.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' GLN . 5.3 m-20 39.88 41.72 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -133.05 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.867 HG22 ' HD3' ' A' ' 51' ' ' ARG . 14.0 t -74.97 102.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 71.8 t -90.04 128.68 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -125.44 112.56 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.919 HD11 ' CD2' ' A' ' 96' ' ' LEU . 82.4 mt -82.75 148.22 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 tp -101.99 116.78 33.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' LYS . 2.8 tm-20 -56.93 -48.89 77.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' GLU . 12.6 mttt -38.42 123.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mttt 68.62 53.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.8 ttm 179.84 -69.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.97 -167.53 14.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 m -89.65 -41.78 11.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.74 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.3 m -53.77 -70.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.72 -58.19 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 28' ' ' ILE . 15.1 ttt-85 -46.15 -60.49 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.14 -44.63 83.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -55.23 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.3 mt -45.19 -43.38 10.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.69 ' CG ' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -59.76 -41.64 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 40' ' ' LEU . 1.6 mt -61.81 -45.5 93.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -63.23 -41.54 99.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 36.4 mtp180 -54.46 -42.86 71.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -19.9 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HE3' HG23 ' A' ' 100' ' ' ILE . 29.8 mmtt -81.49 -22.37 38.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 114.52 -2.14 23.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.746 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.6 m-85 -62.26 171.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.867 ' HD3' HG22 ' A' ' 25' ' ' VAL . 13.7 ttt180 -113.35 76.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.661 HG11 ' CB ' ' A' ' 42' ' ' MET . 44.8 t -79.19 152.5 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -132.71 142.37 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -80.64 -28.42 36.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -123.97 145.55 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 60' ' ' VAL . 31.0 tp -63.47 145.57 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.47 175.02 12.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.25 -2.54 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 61' ' ' THR . 58.3 m -92.48 -20.04 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 56' ' ' LEU . 45.8 t -58.55 111.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 59' ' ' SER . 34.9 p -103.1 -24.33 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.816 ' CE1' HD22 ' A' ' 24' ' ' LEU . 24.5 m80 -133.88 128.68 35.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 88' ' ' PRO . 62.1 mt -114.88 121.66 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 91.2 t -98.7 141.0 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.13 150.7 37.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 9.0 tt0 -120.69 107.62 13.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 5.8 m-20 81.04 40.98 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.867 ' O ' HD22 ' A' ' 114' ' ' LEU . 3.4 m-80 -141.48 145.27 35.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.7 m -95.65 144.8 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 90' ' ' LEU . . . -37.24 -34.84 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 p -71.24 -51.75 22.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' SER . 11.1 m-20 -48.65 -43.71 36.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.659 HG12 HD12 ' A' ' 77' ' ' LEU . 98.6 t -64.71 -45.48 95.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mt -54.54 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.84 -38.1 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CH2' HD22 ' A' ' 56' ' ' LEU . 30.8 t90 -69.15 -48.87 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 107.973 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.56 -55.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -53.67 -31.34 47.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -70.79 -30.01 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 92.6 mm-40 -66.22 143.73 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 2.1 ttpm? -90.27 14.56 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.0 t -95.25 148.32 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -107.79 137.52 45.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 137.4 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -24.31 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.3 t -155.52 128.62 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -45.89 126.43 6.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . 5.7 mm-40 -80.47 141.19 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -111.53 106.84 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 108' ' ' MET . 0.2 OUTLIER -134.01 153.62 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.535 ' HA ' HD21 ' A' ' 114' ' ' LEU . 7.2 t0 -76.27 166.7 23.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HG3' ' A' ' 66' ' ' GLU . 6.1 p -55.55 -18.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -47.87 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CE2' ' SG ' ' A' ' 99' ' ' CYS . 26.7 t90 -51.19 -63.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.919 ' CD2' HD11 ' A' ' 28' ' ' ILE . 6.5 tp -43.7 -51.96 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.8 mt -48.1 -55.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.85 -50.14 72.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 22.4 m -52.84 -35.09 56.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 96' ' ' LEU . 55.7 mt -66.39 -58.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.59 -21.16 54.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.47 -31.18 16.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.0 19.0 78.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.539 1.15 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.539 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -153.58 179.89 1.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.577 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -45.99 179.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.92 ' HG3' HG23 ' A' ' 109' ' ' THR . 8.0 pt-20 -83.14 175.58 9.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.55 ' HG2' HD22 ' A' ' 91' ' ' LEU . 8.3 mtm -104.34 -12.91 16.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.92 HG23 ' HG3' ' A' ' 107' ' ' GLU . 12.3 p 44.54 -97.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.28 -42.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 91' ' ' LEU . 44.9 m170 -52.14 -46.76 65.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 59.7 mm-40 -58.14 157.88 7.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 68' ' ' ASN . 6.4 mt -108.86 -49.7 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.97 -125.06 0.75 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.31 5.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.444 1.76 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 137.99 31.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 p -177.05 146.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.37 133.93 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -106.3 167.06 10.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.13 161.57 14.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 164.29 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.95 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.46 164.49 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.28 165.8 36.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -141.44 156.58 45.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.383 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.88 128.9 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.15 136.64 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 152.3 51.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.7 mtt -92.91 99.04 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' HG3' ' A' ' 16' ' ' PRO . . . -171.24 173.72 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.07 -63.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -171.44 78.6 0.51 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -74.99 58.86 5.03 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -114.12 58.66 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.52 94.71 2.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.917 HD13 ' HB2' ' A' ' 51' ' ' ARG . 87.9 mt -46.25 139.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -39.48 -57.2 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' A' ' 104' ' ' LYS . 77.2 m-85 -92.83 -46.56 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.603 ' H ' HG22 ' A' ' 19' ' ' ILE . 0.1 OUTLIER 64.36 152.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 52.66 20.96 1.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -129.35 64.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 59' ' ' SER . 15.6 t -82.51 120.46 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 96' ' ' LEU . 91.9 t -111.13 131.9 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -128.33 115.02 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 42' ' ' MET . 99.3 mt -81.39 142.19 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' GLU . 22.1 tp -97.63 99.17 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' LYS . 6.1 tm-20 -37.9 -50.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 25.7 mtmt -38.25 124.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 69.03 53.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 42.3 ttm -179.84 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.82 -164.77 15.66 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -89.54 -57.6 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -39.55 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -52.15 -64.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -39.06 -58.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.01 62.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -45.46 -71.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.31 -50.84 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.882 ' HG3' HD12 ' A' ' 28' ' ' ILE . 8.0 mtm -53.34 -42.61 66.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.75 -37.06 76.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -60.18 -46.56 89.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -60.01 -45.59 92.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -50.11 -48.52 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -53.59 -30.67 43.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE3' HG23 ' A' ' 100' ' ' ILE . 25.3 mmtt -74.55 -19.62 60.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.11 0.49 26.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 24' ' ' LEU . 8.3 m-85 -70.33 143.51 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.917 ' HB2' HD13 ' A' ' 19' ' ' ILE . 11.1 ttt-85 -88.04 80.01 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 ' CB ' ' A' ' 42' ' ' MET . 51.8 t -79.59 154.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -135.97 148.64 48.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -81.11 -44.51 17.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -112.27 147.67 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD22 ' N ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -63.56 121.9 15.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.774 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -124.03 176.48 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -74.95 -10.09 59.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 25' ' ' VAL . 19.0 m -88.35 -11.19 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.6 117.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.484 ' OG1' ' CE1' ' A' ' 62' ' ' HIS . 37.7 p -111.58 -15.46 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.764 ' CE1' HD22 ' A' ' 24' ' ' LEU . 14.8 m80 -138.03 118.49 13.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 88' ' ' PRO . 11.6 mt -108.05 121.86 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 80.3 t -94.25 141.25 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -149.39 131.94 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 67' ' ' ASN . 4.1 tt0 -104.41 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 66' ' ' GLU . 9.0 m-20 75.85 38.02 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.935 ' O ' HD22 ' A' ' 114' ' ' LEU . 11.1 m-80 -138.81 114.54 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' ASP . 3.5 m -66.27 150.25 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 74' ' ' LEU . . . -37.08 -50.65 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' LEU . 63.5 p -63.56 -43.08 98.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -51.05 -24.34 3.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' A' ' 90' ' ' LEU . 79.0 t -84.73 -31.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -60.28 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -40.03 -40.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CD1' ' NE2' ' A' ' 80' ' ' GLN . 26.6 t90 -74.72 -47.08 33.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 108.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -43.57 -56.11 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 76' ' ' TRP . . . -64.38 -37.44 87.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.646 ' NE2' ' CD1' ' A' ' 76' ' ' TRP . 48.2 mm-40 -64.0 150.75 44.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -90.6 -9.72 45.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -85.18 114.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' VAL . 60.1 mt-30 -88.38 77.83 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HD3' ' A' ' 88' ' ' PRO . 7.2 p -39.72 150.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -12.16 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 p 178.85 144.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.21 119.9 9.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.909 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.5 Cg_endo -75.01 172.01 17.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.437 1.756 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.03 115.2 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' A' ' 73' ' ' VAL . 6.3 mt -86.01 119.15 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.95 157.84 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.24 160.34 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 97' ' ' ILE . 5.8 p -53.78 -29.41 17.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -48.41 -46.7 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.644 ' CD1' HG23 ' A' ' 106' ' ' VAL . 33.6 t90 -55.79 -62.21 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD2' HG11 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.24 -47.68 35.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 93' ' ' VAL . 56.2 mt -52.42 -53.25 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -64.07 -42.69 96.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 15.1 m -51.67 -27.55 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' HE3' ' A' ' 48' ' ' LYS . 73.8 mt -82.73 -66.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.0 -18.36 8.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -97.31 -21.75 17.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.78 31.54 80.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 12.5 pttp -170.86 165.99 4.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.516 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.95 83.19 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.4 m -43.56 163.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.8 pt-20 -83.98 146.24 28.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtt -82.93 108.78 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -112.36 41.88 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . 77.71 -63.94 3.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.503 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -40.77 -56.08 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 25.4 m170 -51.02 -42.81 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 110' ' ' GLY . 30.8 mm-40 -67.7 154.03 42.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt -92.58 -37.78 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 p -155.79 156.44 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.28 -165.95 24.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t 61.55 150.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.957 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -124.67 126.56 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -153.46 162.87 40.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -138.09 138.11 38.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 132.67 2.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -146.34 152.62 39.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p 178.23 156.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.43 85.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.79 141.23 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.02 94.68 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.16 131.71 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 0.733 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -61.74 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.3 169.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.98 85.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 t -138.93 -60.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.3 p 47.7 92.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -35.21 3.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.18 58.23 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.88 94.63 2.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CD1' ' NE ' ' A' ' 51' ' ' ARG . 3.0 mt -48.28 126.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -51.45 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 50' ' ' PHE . 63.3 m-85 -90.94 121.34 32.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ASP . 57.0 mt-30 -89.3 154.74 19.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' GLN . 68.0 m-20 39.45 40.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -129.38 61.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 21.2 t -86.82 106.74 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 96' ' ' LEU . 76.9 t -95.13 125.3 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -121.46 112.24 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 42' ' ' MET . 67.8 mt -81.26 138.7 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 64' ' ' VAL . 16.2 tp -94.55 104.84 16.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 4.0 tm-20 -42.22 -44.61 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 76' ' ' TRP . 0.2 OUTLIER -39.93 123.66 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 67.24 55.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.63 -69.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 119.74 -161.6 14.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.2 m -89.29 -60.88 1.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 m -42.04 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -62.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 19.1 ttt-85 -42.45 -62.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -55.09 -45.56 75.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -49.75 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.83 -48.47 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.876 ' HG3' HD12 ' A' ' 28' ' ' ILE . 9.3 mtm -56.26 -42.43 77.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.05 -36.6 75.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mt -60.82 -44.39 96.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.69 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.7 mtp180 -51.41 -43.3 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -50.48 -34.29 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 100' ' ' ILE . 63.4 mmtt -70.48 -26.51 63.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 118.21 -6.1 15.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 14.3 m-85 -57.23 152.36 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.787 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -95.64 77.33 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.723 HG11 ' CB ' ' A' ' 42' ' ' MET . 61.3 t -80.03 145.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -124.07 150.54 44.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.0 m120 -89.27 -22.22 22.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.27 144.52 51.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD22 ' HG3' ' A' ' 80' ' ' GLN . 19.3 tp -61.76 153.85 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 82' ' ' VAL . 2.5 m -160.4 -178.4 6.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.62 4.77 26.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 61' ' ' THR . 71.3 m -102.27 -15.91 16.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 56' ' ' LEU . 54.8 t -61.43 110.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 59' ' ' SER . 74.7 p -104.95 -17.32 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.675 ' HE1' HD22 ' A' ' 24' ' ' LEU . 40.5 m80 -139.17 121.92 16.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.725 HD12 ' HG2' ' A' ' 88' ' ' PRO . 43.9 mt -109.6 121.52 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 96' ' ' LEU . 70.4 t -98.78 139.98 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 68' ' ' ASN . . . -145.67 143.78 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -110.91 124.31 51.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 59.78 37.92 21.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.553 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 19.1 m-80 -128.5 137.14 51.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.7 m -92.04 150.36 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' CB ' ' A' ' 114' ' ' LEU . . . -40.88 -30.31 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -71.41 -47.69 54.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' SER . 18.3 m-20 -54.46 -45.55 73.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.638 ' HB ' HD13 ' A' ' 90' ' ' LEU . 38.9 t -68.43 -42.24 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.36 -62.23 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -44.84 -42.05 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.689 ' CH2' HD22 ' A' ' 56' ' ' LEU . 27.8 t90 -69.89 -43.07 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -47.72 -50.57 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.36 -28.36 65.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.26 84.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.722 ' HG3' HD22 ' A' ' 56' ' ' LEU . 37.7 mm-40 -57.63 141.0 49.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -89.99 -4.95 57.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 57' ' ' SER . 53.5 t -83.05 134.86 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -93.69 129.77 39.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.58 108.96 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.5 t -41.12 -32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -129.64 -146.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -136.73 127.56 16.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.725 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -90.46 122.74 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.058 ' C ' HD13 ' A' ' 91' ' ' LEU . 4.7 mt -86.95 95.21 9.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.058 HD13 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -124.1 148.41 47.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.57 ' N ' HD11 ' A' ' 114' ' ' LEU . 4.5 t70 -78.54 160.49 27.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.509 ' HA ' HG13 ' A' ' 64' ' ' VAL . 7.8 p -39.15 -31.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' ASP . 43.3 m -48.51 -54.56 13.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.717 ' CD1' HG23 ' A' ' 106' ' ' VAL . 44.7 t90 -49.14 -60.3 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -49.64 -49.26 47.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 93' ' ' VAL . 62.7 mt -53.75 -51.33 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.6 mm-40 -63.83 -41.11 97.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 106' ' ' VAL . 84.1 m -53.68 -26.11 21.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.479 HG23 ' HE3' ' A' ' 48' ' ' LYS . 89.8 mt -84.02 -65.62 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.53 -14.74 14.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 98' ' ' GLU . . . -99.63 -10.56 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.54 29.55 24.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 6.8 pttt -171.08 164.42 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 Cg_endo -74.99 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 95' ' ' TRP . 6.5 m -45.92 167.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' O ' ' CE1' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -92.83 148.04 22.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.565 ' HE3' ' CZ2' ' A' ' 95' ' ' TRP . 2.5 mpt? -89.05 95.58 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.9 p -87.61 -42.42 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.87 -52.97 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -35.71 11.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 107' ' ' GLU . 12.9 m170 -69.51 -49.24 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 71.1 mm-40 -59.48 121.84 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -51.02 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 174.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.42 -146.78 7.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 71.36 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -130.52 137.54 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.944 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.7 p -152.59 158.14 42.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 179.05 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -109.68 92.76 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.29 147.77 17.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -173.63 178.63 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 -175.03 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.33 46.68 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 p -64.53 -173.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 164.67 10.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.31 106.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.08 123.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.38 177.37 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.13 77.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.14 54.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.68 162.32 9.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 56.34 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -143.81 69.88 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.87 94.14 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mt -48.36 125.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.99 -42.16 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 31.6 m-85 -103.21 115.72 31.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -97.56 23.24 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -159.42 35.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' HE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -142.74 59.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 59' ' ' SER . 5.3 t -75.31 118.41 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 96' ' ' LEU . 74.1 t -110.22 118.91 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' VAL . 87.2 t80 -114.43 115.05 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 42' ' ' MET . 75.4 mt -82.48 147.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.25 106.63 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG2' ' CA ' ' A' ' 34' ' ' GLY . 3.1 tm-20 -46.71 -48.94 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' GLU . 6.2 mttm -39.85 128.49 2.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? 66.73 49.8 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.8 ttm -179.25 -69.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' HG2' ' A' ' 30' ' ' GLU . . . 122.25 -167.75 14.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' THR . 13.5 m -87.7 -58.72 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' THR . 86.9 m -38.51 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -63.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 31.0 ttt-85 -39.47 -58.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -57.01 -57.2 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -42.3 -69.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.977 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.1 mm? -43.17 -57.2 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.761 ' CG ' HD12 ' A' ' 28' ' ' ILE . 11.1 mtm -47.54 -43.8 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' HD23 ' A' ' 44' ' ' LEU . 4.1 tt0 -67.5 -40.4 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 40' ' ' LEU . 5.4 mt -59.4 -44.4 92.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -65.07 -43.63 91.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.8 mtt85 -53.67 -52.43 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -49.93 -36.75 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.22 -26.63 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 126.57 -22.52 5.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 24' ' ' LEU . 2.4 m-85 -47.97 159.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 8.0 ttm180 -106.23 78.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG11 ' CB ' ' A' ' 42' ' ' MET . 48.3 t -79.43 153.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -130.48 145.32 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.97 -25.14 40.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -130.72 147.36 52.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD22 ' HG3' ' A' ' 80' ' ' GLN . 37.5 tp -62.45 159.15 16.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.19 -171.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' HA ' HG12 ' A' ' 84' ' ' VAL . 5.8 p-10 -84.29 -12.29 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -83.22 -17.5 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.651 HG21 HD12 ' A' ' 56' ' ' LEU . 55.0 t -64.83 114.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' SER . 30.2 p -109.36 -18.35 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.705 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.7 m80 -139.03 123.56 18.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.695 HD12 ' HG2' ' A' ' 88' ' ' PRO . 74.1 mt -112.37 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 21.9 t -93.88 148.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.67 153.41 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -119.73 134.2 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 56.46 37.6 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -133.77 143.32 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' ASP . 9.7 m -95.46 147.51 23.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.93 -32.4 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' SER . 87.1 p -73.37 -50.58 21.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.7 OUTLIER -49.73 -39.34 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG1' ' HG ' ' A' ' 90' ' ' LEU . 45.9 t -71.83 -43.57 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 90' ' ' LEU . 6.8 mt -56.56 -61.09 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.59 -38.85 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.584 ' CH2' HD22 ' A' ' 56' ' ' LEU . 29.3 t90 -68.69 -43.32 76.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 107.945 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -48.23 -52.45 20.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -68.16 -26.77 65.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG3' HD22 ' A' ' 56' ' ' LEU . 53.4 mm-40 -69.01 -41.15 78.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 10.8 tttt 63.93 12.65 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.41 137.78 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.48 126.73 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -126.96 127.83 70.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -19.06 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.7 t -172.48 126.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.57 130.82 1.08 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.03 167.36 27.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.18 139.2 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HG ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -107.71 103.5 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -126.95 176.87 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.516 ' CA ' HD11 ' A' ' 114' ' ' LEU . 1.3 t0 -105.99 162.59 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 97' ' ' ILE . 12.9 p -50.81 -23.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -49.72 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.615 ' CE3' HD13 ' A' ' 91' ' ' LEU . 35.2 t90 -57.83 -63.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -44.89 -41.45 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 HG22 ' A' ' 93' ' ' VAL . 13.0 mt -58.45 -56.15 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.59 -47.51 85.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 95' ' ' TRP . 18.7 m -54.82 -36.28 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.713 ' CD1' HD13 ' A' ' 96' ' ' LEU . 21.9 mt -63.34 -55.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.03 -23.12 67.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.63 -26.81 21.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' CYS . . . 72.21 14.93 76.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.588 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -152.85 179.71 1.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -75.06 72.57 4.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -46.3 179.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.812 ' HG3' HG23 ' A' ' 109' ' ' THR . 3.6 pt-20 -72.46 159.75 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 91' ' ' LEU . 34.0 mtm -115.89 71.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 107' ' ' GLU . 43.3 p -61.82 -169.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.19 60.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -17.33 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.9 m170 -83.7 -40.61 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.38 117.71 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -42.23 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.76 154.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.91 -165.2 38.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t -176.47 144.24 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 147.0 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -170.82 160.48 6.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 0.732 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -133.58 128.51 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.59 167.89 37.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -170.73 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.56 95.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.65 124.67 3.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -141.95 159.88 41.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.797 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.14 74.32 0.18 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.28 131.76 28.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.55 118.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 86.11 2.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.49 64.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 58.71 112.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 p -163.05 149.15 10.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 75.44 3.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -79.49 60.11 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.62 94.66 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' PHE . 3.0 mt -45.68 124.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -57.1 14.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 105' ' ' PRO . 20.2 m-85 -111.77 127.28 55.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -94.81 29.9 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -167.58 39.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD22 ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -138.85 57.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 59' ' ' SER . 5.4 t -75.12 116.44 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 64' ' ' VAL . 76.4 t -108.22 125.78 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 56' ' ' LEU . 67.0 t80 -118.55 114.3 22.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD12 ' HG3' ' A' ' 42' ' ' MET . 16.0 mt -82.51 139.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 tp -102.61 114.34 28.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.4 tm-20 -49.55 -53.53 23.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.0 mttm -38.5 128.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 67' ' ' ASN . 0.0 OUTLIER 67.78 50.0 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 43.1 ttm -179.02 -69.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.32 -166.51 18.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 m -89.83 -57.9 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.0 m -38.05 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.6 mtt180 -53.61 -60.07 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 50.1 ttt-85 -38.71 -58.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 42' ' ' MET . . . -62.42 -53.58 52.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.9 -71.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ARG . 4.2 mm? -40.38 -54.06 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.774 ' HG3' HD12 ' A' ' 28' ' ' ILE . 13.5 mtp -49.99 -40.02 42.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt0 -73.32 -36.36 66.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 40' ' ' LEU . 1.4 mt -61.0 -46.7 89.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.795 ' HB3' HG21 ' A' ' 52' ' ' VAL . . . -59.04 -45.61 90.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLY . 4.7 mtt180 -54.94 -48.72 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -51.06 -30.82 16.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HE3' HG23 ' A' ' 100' ' ' ILE . 74.2 mmtt -74.29 -26.13 60.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 122.3 -10.31 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 24' ' ' LEU . 14.5 m-85 -62.11 150.84 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -95.06 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 45' ' ' ALA . 21.3 t -79.64 152.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -125.56 155.31 40.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -86.57 -40.57 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.5 152.3 35.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.949 HD22 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -66.78 127.24 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.949 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.1 p -133.06 -175.7 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.29 -20.09 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.55 ' O ' HG21 ' A' ' 25' ' ' VAL . 47.9 m -75.86 -17.02 59.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.15 116.04 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 59' ' ' SER . 68.9 p -108.6 -21.67 12.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.7 ' CE1' HD22 ' A' ' 24' ' ' LEU . 19.6 m80 -135.21 121.7 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.758 HD12 ' HG2' ' A' ' 88' ' ' PRO . 36.8 mt -107.24 124.08 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 96' ' ' LEU . 59.8 t -97.18 137.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.63 139.45 15.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -101.23 136.49 40.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.471 ' CB ' ' HD3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER 71.97 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.858 ' O ' HD22 ' A' ' 114' ' ' LEU . 48.1 m-20 -43.44 136.05 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASP . 19.7 m -97.91 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.67 -37.74 0.4 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.7 p -66.61 -51.66 53.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' SER . 82.9 m-20 -53.14 -48.26 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.0 -45.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.27 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.51 -38.06 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 80' ' ' GLN . 9.8 t90 -70.05 -44.42 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -48.68 45.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.22 -29.95 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.45 -38.24 86.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 76' ' ' TRP . 33.1 mm-40 -61.61 158.38 15.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -97.85 -9.28 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -87.26 103.18 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 85' ' ' SER . 50.4 mt-30 -75.63 85.31 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 57' ' ' SER . 11.3 p -40.13 -30.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER 84.68 -28.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.7 t -140.18 122.85 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -54.24 112.98 4.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.758 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 mm-40 -77.63 137.97 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -113.15 99.17 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -128.46 159.57 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.601 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -77.92 162.22 26.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 7.1 p -53.57 -28.52 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 m -47.57 -56.23 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 91' ' ' LEU . 42.1 t90 -43.93 -53.16 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 64' ' ' VAL . 9.0 tp -52.56 -61.14 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' LEU . 53.7 mt -38.67 -51.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' ALA . 3.0 mm-40 -67.1 -49.04 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 106' ' ' VAL . 57.9 m -49.49 -34.98 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.474 HG23 ' HE3' ' A' ' 48' ' ' LYS . 70.4 mt -71.68 -69.87 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.51 -21.22 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -93.12 -29.68 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 0.794 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 74.75 6.24 77.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -144.94 166.22 19.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 21' ' ' PHE . 18.6 Cg_endo -74.96 82.58 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 99' ' ' CYS . 21.3 m -44.27 155.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.6 pt-20 -60.73 159.87 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.439 ' SD ' ' NE2' ' A' ' 113' ' ' GLN . 23.5 mtm -107.85 70.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 107' ' ' GLU . 35.2 p -51.5 -47.5 63.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.4 -56.54 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.102 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -34.47 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 56.4 m170 -58.16 -45.03 88.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.536 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.439 ' NE2' ' SD ' ' A' ' 108' ' ' MET . 8.9 mm-40 -64.83 152.81 41.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 68' ' ' ASN . 2.8 mt -88.7 -60.86 1.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 114' ' ' LEU . 0.4 OUTLIER 60.91 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.69 -167.98 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.6 m 54.79 81.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 p -109.29 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -167.9 141.45 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -136.93 162.65 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.18 143.46 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.05 144.19 31.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.43 123.62 48.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 85.95 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -113.72 143.72 44.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.74 152.0 1.44 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.09 -91.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.72 131.09 56.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 ttp -178.98 111.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 -68.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.37 -52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t -56.65 110.18 2.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -85.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -131.61 53.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 95.68 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 49' ' ' GLY . 3.0 mt -47.87 116.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -77.57 -56.02 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 82.0 m-85 -92.64 60.56 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 29.6 pt20 -80.16 47.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.37 -49.22 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -103.21 167.22 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 51' ' ' ARG . 40.3 t -136.46 94.96 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 52' ' ' VAL . 48.3 t -80.02 123.07 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -119.84 110.2 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.848 HD12 ' HG3' ' A' ' 42' ' ' MET . 12.0 mt -72.26 153.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -110.03 100.91 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -39.46 -53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' GLU . 10.6 mttm -38.3 126.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 68.73 52.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.6 ttm -179.35 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 125.23 -167.19 17.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 m -89.76 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -38.43 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -60.61 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 30' ' ' GLU . 47.2 ttt-85 -38.86 -57.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.12 85.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -52.54 -71.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.4 -51.13 8.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.848 ' HG3' HD12 ' A' ' 28' ' ' ILE . 10.2 mtp -52.17 -38.33 57.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' N ' HH21 ' A' ' 46' ' ' ARG . 9.3 tt0 -77.02 -36.36 56.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 40' ' ' LEU . 1.1 mt -59.78 -46.95 87.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -60.62 -51.04 71.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH21 ' N ' ' A' ' 43' ' ' GLU . 59.3 mtm180 -48.21 -44.87 33.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.63 -20.69 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.605 ' CE ' HG23 ' A' ' 100' ' ' ILE . 70.7 mmtt -83.0 -27.31 30.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 19' ' ' ILE . . . 131.7 -30.96 3.17 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 24' ' ' LEU . 43.7 m-85 -48.68 149.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.1 ttt180 -97.52 82.43 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 26' ' ' VAL . 22.0 t -79.73 148.65 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -125.36 161.85 26.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 5.0 m-80 -92.42 -30.16 15.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.63 148.54 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD23 ' CG1' ' A' ' 82' ' ' VAL . 19.4 tp -56.1 158.41 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 5.9 p -168.48 166.73 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' HA ' HG23 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -68.01 -9.43 45.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 61' ' ' THR . 7.0 m -87.78 -21.52 25.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 88' ' ' PRO . 78.4 t -59.09 106.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 59' ' ' SER . 24.5 p -101.57 -16.14 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 2.7 m80 -143.14 133.74 25.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.566 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.792 HD12 ' HG2' ' A' ' 88' ' ' PRO . 67.7 mt -121.72 128.55 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 93' ' ' VAL . 3.8 t -99.14 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.781 ' HB1' ' OD1' ' A' ' 68' ' ' ASN . . . -160.34 128.91 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ASN . 7.7 tt0 -108.25 123.41 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 3.0 m-20 81.38 7.23 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.781 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -109.81 162.88 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.3 m -118.07 146.17 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 114' ' ' LEU . . . -40.99 -33.37 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 p -72.16 -45.58 59.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.7 t0 -58.09 -50.81 72.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.597 HG12 HD12 ' A' ' 77' ' ' LEU . 88.5 t -58.03 -35.92 54.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.63 -62.54 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -45.6 -37.53 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.495 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 34.7 t90 -69.31 -49.03 59.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 107.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -50.67 -51.29 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.01 -32.4 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . -66.23 -33.38 75.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' A' ' 82' ' ' VAL . 84.2 mm-40 -59.99 136.55 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 15.5 tttt -90.36 5.89 45.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.885 ' CG1' HD23 ' A' ' 56' ' ' LEU . 3.4 p -97.56 118.75 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -81.48 93.76 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 58' ' ' ASP . 13.1 p -59.35 154.86 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -7.28 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.96 167.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.0 118.95 71.54 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.792 ' HG2' HD12 ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -81.23 118.27 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' ' 114' ' ' LEU . 5.7 mt -90.03 112.02 23.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -136.08 162.35 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -87.21 160.98 18.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . 14.8 p -48.07 -24.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -50.97 -51.79 49.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.583 ' CD2' HD13 ' A' ' 91' ' ' LEU . 33.0 t90 -50.5 -52.23 40.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ALA . 6.9 tp -54.45 -59.33 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.9 mt -42.7 -46.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.2 mm-40 -70.19 -57.74 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.721 ' SG ' HG22 ' A' ' 106' ' ' VAL . 58.3 m -47.2 -25.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.605 HG23 ' CE ' ' A' ' 48' ' ' LYS . 85.1 mt -78.98 -64.14 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.17 -12.31 36.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -98.49 -29.06 13.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.03 2.23 65.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 99' ' ' CYS . 0.0 OUTLIER -141.27 164.0 38.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.452 ' HA ' ' SG ' ' A' ' 99' ' ' CYS . 18.2 Cg_endo -75.02 82.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.721 HG22 ' SG ' ' A' ' 99' ' ' CYS . 25.5 m -44.45 157.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -59.04 153.55 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.441 ' SD ' HD21 ' A' ' 91' ' ' LEU . 20.6 mtm -107.49 47.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' MET . 60.5 p -38.24 -69.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 113' ' ' GLN . . . -172.94 -51.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.2 OUTLIER -39.78 -44.66 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 107' ' ' GLU . 36.4 m80 -59.54 -50.7 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 110' ' ' GLY . 39.2 mm-40 -55.82 152.98 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -93.02 -57.89 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.62 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.55 -141.26 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.53 36.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -54.58 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m 48.8 77.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 stop_ save_